***** slop98.dat - Sequential-access thermodynamic datafile *** to be used as input to PROGRAM cprons92, *** a code that converts sequential files into their *** direct-access equivalent (dslop98.dat), which is *** used by PROGRAM supcrt92. NOTE: species can be *** added, deleted, or modified using PROGRAM mprons92. *** *** last updated: 20.Aug.98 GEOPIG (NCP, GWC, ES) *** ************************************************************************ *** *** REFERENCES: cited below as "ref:#,#,.." *** * * 1 ... Helgeson, H.C., Delany, J.M, Nesbitt, H.W., and Bird, D.K., * 1978, Summary and Critique of the Thermodynamic * Properties of Rock-Forming Minerals: Amer. Jour. Sci., * v. 278A, 229 p. * * 2 ... Shock, E.L., and Helgeson, H.C., 1988, Calculation of the * thermodynamic and transport properties of aqueous * species at high pressures and temperatures: Correlation * algorithms for ionic species and equation of state * predictions to 5 kb and 1000 C: Geochim. Cosmo. Acta, * v. 52, pp. 2009-2036. * * 3 ... Shock, E.L., Helgeson, H.C., and Sverjensky, D.A., 1989, * Calculation of the thermodynamic and transport * properties of aqueous species at high pressures and * temperatures: Standard partial molal properties of * inorganic neutral species: Geochim. Cosmo. Acta, v. 53, * pp. 2157-find2183. * * 4 ... Shock, E.L., and Helgeson, H.C., 1990, Calculation of the * thermodynamic and transport properties of aqueous * species at high pressures and temperatures: Standard * partial molal properties of organic species: * Geochim. Cosmo. Acta, v. 54, pp. 915-945. * * 4A ... Corrected values based on data from 4 * * 5 ... Sverjensky, D.A., Shock, E.L., and Helgeson, H.C., 1997, * Prediction of the thermodynamic properties of aqueous * metal complexes to 1000 C and 5 kb: Geochim. Cosmo. * Acta, v. 61, No. 7, pp. 1359-1412. * * 5A ... Corrected values based on data from 5 * * 6 ... Wagman, D.D., Evans, W.H., Parker, V.B., Schumm, R.H., * Halow, I., Bailey, S.M., Churney, K.L., Nuttall, R.L., * 1982, The NBS Tables of Chemical and Thermodynamic * Properties: Jour. Phys. Chem. Ref. Data, v. 11, * supplement no. 2, 392 p. * * 7 ... Robie, R.A., Hemingway, B.S., and Fisher, J.S., 1979, * Thermodynamic Properties of Minerals and Related * Substances at 298.15 K and 1 Bar (10**5 Pascals) * Pressure and at Higher Temperatures: U.S. Geol. Surv. * Bull. 1452, 456 p. * * 8 ... Kelley, K.K., 1960, Contributions to the Data in Theoretical * Metallurgy XIII: High Temperature Heat Content, Heat * Capacities and Entropy Data for the Elements and * Inorganic Compounds. U.S. Bureau of Mines Bulletin * 584, 232 p. * * 9 ... Bowers, T.S., and Helgeson, H.C., 1983, Calculation of the * thermodynamic and geochemical consequences of nonideal * mixing in the system H2O-CO2-NaCl on phase relations * in geologic systems: Equation of state for H2O-CO2-NaCl * fluids at high pressures and temperatures: Geochim. * Cosmo. Acta, v. 47, pp. 1247-1275. * * 10 ... Sverjensky, D.A., 1987, Calculations of the thermodynamic * properties of aqueous species and the solubilities of * minerals in supercritical electrolyte solutions, in * Carmichael, I.S.E. and H.P. Eugster, eds., Thermodynamic * Modeling of Geologic Materials: Minerals, Fluids and * Melts: Mineral. Soc. Amer., Reviews in Mineralogy, * v. 17, pp. 177-209. * 12 ... Jackson, K.J., and Helgeson, H.C., 1985, Chemical and * thermodynamic constraints on the hydrothermal transport * and deposition of tin: II. Interpretation of phase * relations in the Southeast Asian tin belt: Econ. Geol., * v. 80, no. 5, pp. 1365-1378. * * 13 ... Helgeson, H.C., 1985, Errata II. Thermodynamics of minerals, * reactions, and aqueous solutions at high pressures and * temperatures: Amer. Jour. Sci., v. 285, pp. 845-855. * * 14 ... Shock, E.L., and Helgeson, H.C., 1989, Corrections to Shock * and Helgeson (1988) [ref:2 above]: Geochim. Cosmo. * Acta, v. 53, p. 215. * * 15 ... Pankratz, L.B., 1970, Thermodynamic Data for Silver Chloride * and Silver Bromide: U.S. Bureau of Mines Report of * Investigations #7430, 12 p. * * 16 ... Pankratz, L.B., and King, E.G., 1970, High-Temperature * Enthalpies and entropies of chalcopyrite and bornite: * U.S. Bureau of Mines Report of Investigations #7435, * 10 p. * * 17 ... Johnson, J.W., Personal calculation, Earth Sciences Dept., * Lawrence Livermore National Lab., Livermore, CA. * Parameters given provide smooth metastable * extrapolation of one-bar steam properties predicted * by the Haar et al. (1984) equation of state to * temperatures < the saturation temperature (99.632 C). * * 18 ... Gibbs free energies calculated from solubility data reported by * Plummer, L.N. and Busenberg, E., 1982. The Solubilities * of Calcite, Aragonite, and Vaterite in CO2-H2O Solutions * Between 0 and 90 C and an Evaluation of the Aqueous * Model of the System CaCO3-CO2-H2O. Geochimica et * Cosmochimica Acta, Vol. 46, p. 1011-1040. Enthalpies * adjusted for the correction in the Gibbs free energy. * * 19 ... Gibbs free energies and enthalpies were corrected to be * consistant with updated values of Gibbs free * energies of Ca++ and CO3-- (Shock and Helgeson [ref:2 * above]) together with the solubilities of calcite and * aragonite reported by Busenberg and Plummer [ref:18 * above] * * 20 ... Sverjensky, D.A., Hemley, J.J., and D'Angelo, W.M., 1991, * Thermodynamic assessment of hydrothermal alkali feldspar- * mica-aluminosilicate equilibria: Geochim. Cosmo. Acta, * v. 55, pp. 989-1004. * * G1 ... Shock, E.L., 1992, Stability of peptides in high-temperature * aqueous solutions: Geochim. Cosmo. Acta, v. 56, pp. * 3481-3491. * * G2 ... Shock, E.L., 1993, Hydrothermal dehydration of aqueous organic * compounds: Geochim. Cosmo. Acta, v. 57, pp. 3341-2249. * * G3 ... Schulte, M.D., and Shock, E.L., 1993, Aldehydes in hydrothermal * solution: Standard partial molal thermodynamic properties * and relative stabilities at high temperatures and pressures: * Geochim. Cosmo. Acta, v. 57, pp. 3835-3846. * *G3A ... Corrected values based on data from G3 * * G4 ... Shock, E.L., and Koretsky, C.M., 1993, Metal-organic complexes * in geochemical processes: Calculation of standard partial * molal thermodynamic properties of aqueous acetate complexes * at high pressures and temperatures: Geochim. Cosmo. Acta, * v.57, pp. 4899-4922. * *G4A ... Corrected values based on data from G4 * * G5 ... Shock, E.L., and McKinnon, W.B., 1993, Hydrothermal Processing * of Cometary Volatiles--Applications to Triton: Icarus, * v. 106, pp. 464-477. * * G6 ... Shock, E.L., 1995, Organic acids in hydrothermal solution: * Standard molal thermodynamic properties of carboxylic acids * and estimates of dissociation constants at high temperatures * and pressures: Amer. Jour. Science, v. 295, pp. 496-580. * *G6A ... Corrected values based on data from G6 * * G7 ... Shock, E.L., and Koretsky, C.M., 1995, Metal-organic complexes in * geochemical processes: Estimation of standard partial molal * thermodynamic properties of aqueous complexes between metal * cations and monovalent organic acid ligands at high pressures * and temperatures: Geochim. Cosmo. Acta, v. 59, no. 8, * pp. 1497-1532. * *G7A ... These data were used in G7, but were not tabulated in the paper. * *G7B ... Corrected values based on data from G7 * * G8 ... Haas, J.R., Shock, E.L., and Sassani, D.C., 1995, Rare earth elements * in hydrothermal systems: Estimates of standard partial molal * thermodynamic properties of aqueous complexes of the rare earth * elements at high pressures and temperatures: Geochim. Cosmo. * Acta, v. 59, no. 21, pp. 4329-4350. * *G8A ... Corrected values based on data from G8 * * G9 ... Shock, E.L., Sassani, D.C., Willis, M., and Sverjensky, D.A., 1997, * Inorganic species in geologic fluids: Correlations among * standard molal thermodynamic properties of aqueous ions and * hydroxide complexes: Geochim. Cosmo. Acta, v. 61, no. 5, * pp. 907-950. * *G9A ... These data were used in G9, but were not tabulated in the paper. * *G10 ... Dale, J.D., Shock, E.L., MacLeod, G., Aplin, A.C., and Larter, * S.R., 1997, Standard partial molal properties of aqueous * alkylphenols at high pressures and temperatures: Geochim. Cosmo. * Acta, v. 61, no. 19, pp. 4017-4024. * *G11 ... Shock, E.L., Sassani, D.C., and Betz, H., 1997, Uranium in geologic * fluids: Estimates of standard partial molal properties, oxidation * potentials, and hydrolysis constants at high temperatures and * pressures: Geohim. Cosmo. Acta, v. 61, no. 20, pp. 4245-4266. * *G12 ... Sassani, D.C., and Shock, E.L., Solubility and Transport of * Platinum-Group Elements in Supercritical Fluids: Summary and * Estimates of Thermodynamic Properties for Ru, Rh, Pd, and Pt * Solids, Aqueous Ions, and Complexes to 1000 C and 5 kbar: * Geochim. Cosmo. Acta (in review). * *G13 ... McCollom, T.M., and Shock, E.L., 1997, Geochemical constraints on * chemolithoautotrophic metabolism by microorganisms in seafloor * hydrothermal systems: Geochim. Cosmo. Acta, v. 61, no. 20, * pp. 4375-4391. * *G13A ... Data and parameters as used by G13. ************************************************************************ * * MINERAL ABBREVIATIONS ARE CONSISTENT WITH THOSE RECOMMENDED BY * THE AMERICAN MINERALOGIST AND PUBLISHED BY * * Kretz, R., 1983, Symbols for Rock-Forming Minerals: * Amer. Mineral., v. 68, pp. 277-279. * ************************************************************************ minerals that do not undergo phase transitions ************************************************************************ AKERMANITE Ca2MgSi2O7 Ak Ca(2)Mg(1)Si(2)O(7) ref:1,19 15.Mar.90 -879362.0 -926497.0 50.030 92.810 60.090000 11.400000 -11.400000 1700.00 ALABANDITE MnS Alb Mn(1)S(1) ref:1 5.May.78 -52178.0 -51000.0 19.200 21.460 11.400000 1.800000 0.000000 1803.00 ALBITE,LOW Na(AlSi3)O8 Lo-Ab Na(1)Al(1)Si(3)O(8) ref:1 5.May.78 -886308.0 -939680.0 49.510 100.070 61.700000 13.900000 -15.010000 1400.00 ALUNITE KAl3(OH)6(SO4)2 Alu K(1)Al(3)S(2)O(14)H(6) ref:1 5.May.78 -1113600.0 -1235600.0 78.400 293.600 153.450000 0.000000 -54.950000 650.00 AMESITE,7A Mg2Al(AlSi)O5(OH)4 Ams-7A Mg(2)Al(2)Si(1)O(9)H(4) ref:1 5.May.78 999999.0 999999.0 52.000 103.000 81.030000 24.738000 -20.230000 1000.00 AMORPHOUS-SILICA SiO2*NH2O Amor-Sl Si(1)O(2)H(2N)O(N) ref:1 5.May.78 -202892.0 -214568.0 14.340 29.000 5.930000 47.200000 -22.780000 622.00 ANALCIME NaAlSi2O6*H2O Anl Na(1)Al(1)Si(2)O(7)H(2) ref:1 5.May.78 -738098.0 -790193.0 56.000 97.100 53.490000 24.140000 -8.880000 1000.00 ANALCIME,DEHYDRATED NaAlSi2O6 Dhyd-Anl Na(1)Al(1)Si(2)O(6) ref:1 5.May.78 -674989.0 -714678.0 41.900 89.100 42.090000 24.140000 -8.880000 1000.00 ANDALUSITE Al2SiO5 And Al(2)Si(1)O(5) ref:1 5.May.78 -580587.0 -615866.0 22.200 51.530 41.310833 6.292556 -12.392063 1043.00 ANDRADITE Ca3Fe2Si3O12 Adr Ca(3)Fe(2)Si(3)O(12) ref:1,19 15.Mar.90 -1296819.0 -1380345.0 70.130 131.850 113.532000 15.636000 -30.889000 1100.00 ANGLESITE PbSO4 Ang Pb(1)S(1)O(4) ref:1 5.May.78 -194353.0 -219870.0 35.510 47.950 10.960000 31.000000 4.200000 1100.00 ANHYDRITE CaSO4 Anh Ca(1)S(1)O(4) ref:1 5.May.78 -315925.0 -342760.0 25.500 45.940 16.780000 23.600000 0.000000 1453.00 ANNITE KFe3(AlSi3)O10(OH)2 Ann K(1)Fe(3)Al(1)Si(3)O(12)H(2) ref:1 5.May.78 -1147156.0 -1232195.0 95.200 154.320 106.430000 29.770000 -19.310000 1000.00 ANORTHITE Ca(Al2Si2)O8 An Ca(1)Al(2)Si(2)O(8) ref:1,19 15.Mar.90 -954078.0 -1007552.0 49.100 100.790 63.311000 14.794000 -15.440000 1700.00 ARAGONITE CaCO3 Arg Ca(1)C(1)O(3) ref:1,18 9.Mar.90 -269683.0 -288531.0 21.560 34.150 20.130000 10.240000 -3.340000 600.00 ARTINITE Mg2(OH)2(CO3)*3H2O Art Mg(2)C(1))O(8)H(8) ref:1 5.May.78 -613915.0 -698043.0 55.670 96.900 70.870000 27.660000 -7.430000 1000.00 AZURITE Cu3(OH)2(CO3)2 Azr Cu(3)C(2)O(8)H(2) ref:1 5.May.78 -334417.0 -390100.0 66.970 91.010 36.880000 77.440000 -0.920000 780.00 BARITE BaSO4 Brt Ba(1)S(1)O(4) ref:1 5.May.78 -325563.0 -352100.0 31.600 52.100 33.800000 0.000000 -8.430000 1422.00 BERNDTITE SnS2 Brn Sn(1)S(2) ref:12 5.May.78 -34750.0 -36700.0 20.900 40.960 15.510000 4.200000 0.000000 1000.00 BOEHMITE AlO(OH) Bhm Al(1)O(2)H(1) ref:1 5.May.78 -217250.0 -235078.0 11.580 19.535 14.435000 4.200000 0.000000 500.00 BROMELLITE BeO Brm Be(1)O(1) ref:1 5.May.78 999999.0 999999.0 3.380 8.309 8.450000 4.000000 -3.170000 1200.00 BRUCITE Mg(OH)2 Brc Mg(1)O(2)H(2) ref:1 5.May.78 -199646.0 -221390.0 15.090 24.630 24.147000 4.012400 -6.110000 900.00 CA-AL-PYROXENE CaAl(AlSi)O6 Ca-Al-Px Ca(1)Al(2)Si(1)O(6) ref:1,19 15.Mar.90 -742067.0 -783793.0 35.000 63.500 54.130000 6.420000 -14.900000 1400.00 CALCITE CaCO3 Cal Ca(1)C(1)O(3) ref:1,18 9.Mar.90 -269880.0 -288552.0 22.150 36.934 24.980000 5.240000 -6.200000 1200.00 CASSITERITE SnO2 Cst Sn(1)O(2) ref:12 5.May.78 -124260.0 -138800.0 12.500 21.550 17.246000 2.802600 -4.900100 1500.00 CELADONITE K(MgAl)Si4O10(OH)2 Cln K(1)Mg(1)Al(1)Si(4)O(12)H(2) ref:1 5.May.78 999999.0 999999.0 74.900 157.100 80.250000 25.300000 -18.540000 1000.00 CELESTITE SrSO4 Cls Sr(1)S(1)O(4) ref:1 5.May.78 -320435.0 -347300.0 28.000 46.250 21.800000 13.300000 0.000000 1500.00 CERUSSITE PbCO3 Cer Pb(1)C(1)O(3) ref:1 5.May.78 -150370.0 -168000.0 31.300 40.590 12.390000 28.600000 0.000000 800.00 CHABAZITE Ca(Al2Si4)O12*6H2O Cbz Ca(1)Al(2)Si(4)O(18)H(12) ref:1 5.May.78 999999.0 999999.0 152.900 247.760 146.000000 44.470000 -16.430000 1000.00 CHALCEDONY SiO2 Cha Si(1)O(2) ref:1 5.May.78 -204276.0 -217282.0 9.880 22.688 11.220000 8.200000 -2.700000 848.00 CHLORARGYRITE AgCl Crg Ag(1)Cl(1) ref:7,15 5.May.78 -26247.0 -30370.0 23.000 25.727 14.330000 1.821000 -2.430000 728.00 CHLORITOID FeAl2SiO5(OH)2 Cld Fe(1)Al(2)Si(1)O(7)H(2) ref:1 5.May.78 999999.0 999999.0 42.100 69.800 60.630000 17.130000 -13.630000 1000.00 CHRYSOTILE Mg3Si2O5(OH)4 Ctl Mg(3)Si(2)O(9)H(4) ref:1 5.May.78 -964871.0 -1043123.0 52.900 108.500 75.820000 31.600000 -17.580000 1000.00 CINNABAR HgS Cin Hg(1)S(1) ref:1 5.May.78 -10940.0 -12750.0 19.700 28.416 10.460000 3.720000 0.000000 618.00 CLINOCHLORE,14A Mg5Al(AlSi3)O10(OH)8 14A-Cnc Mg(5)Al(2)Si(3)O(18)H(8) ref:1 5.May.78 -1961703.0 -2116964.0 111.200 207.110 166.500000 42.100000 -37.470000 900.00 CLINOZOISITE Ca2Al3Si3O12(OH) Czo Ca(2)Al(3)Si(3)O(13)H(1) ref:1,19 15.Mar.90 -1549240.0 -1643781.0 70.640 136.200 106.118000 25.214000 -27.145000 700.00 COPPER,NATIVE Cu Cu Cu(1) ref:1 5.May.78 0.0 0.0 7.923 7.113 5.410000 1.500000 0.000000 1357.00 CORDIERITE Mg2Al3(AlSi5)O18 Crd Mg(2)Al(4)Si(5)O(18) ref:1 5.May.78 -2061279.0 -2183199.0 97.330 233.220 143.830000 25.800000 -38.600000 1700.00 CORDIERITE,HYDROUS Mg2Al3(AlSi5)O18*H20 Hyd-Crd Mg(2)Al(4)Si(5)O(19)H(2) ref:1 5.May.78 -2121350.0 -2255676.0 111.430 241.220 155.230000 25.800000 -38.600000 1700.00 CORUNDUM Al2O3 Crn Al(2)O(3) ref:1 5.May.78 -374824.0 -397145.0 12.180 25.575 27.490000 2.820000 -8.380000 1800.00 COVELLITE CuS Cv Cu(1)S(1) ref:1 5.May.78 -12612.0 -12500.0 15.900 20.420 10.600000 2.640000 0.000000 1273.00 CRISTOBALITE,ALPHA SiO2 A-Crs Si(1)O(2) ref:1 5.May.78 -203895.0 -216755.0 10.372 25.740 13.980000 3.340000 -3.810000 1000.00 CRISTOBALITE,BETA SiO2 B-Crs Si(1)O(2) ref:1 5.May.78 -203290.0 -215675.0 11.963 27.380 17.390000 0.310000 -9.890000 2000.00 CUMMINGTONITE Mg7Si8O22(OH)2 Cum Mg(7)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 127.500 271.900 185.240000 58.610000 -44.660000 800.00 CUPRITE Cu2O Cpr Cu(2)O(1) ref:1 5.May.78 -35384.0 -40830.0 22.080 23.437 14.080000 5.880000 -0.760000 1515.00 DAPHNITE,14A Fe5Al(AlSi3)O10(OH)8 Dph-14A Fe(5)Al(2)Si(3)O(18)H(8) ref:1 Gf and Hf from Saccocia & Seyfried(1993) TMM -1550482.0 -1695426.0 142.500 213.420 176.210000 43.760000 -33.820000 1000.00 DIASPORE AlO(OH) Dsp Al(1)O(2)H(1) ref:1 5.May.78 -218402.0 -237170.0 8.430 17.760 14.435000 4.200000 0.000000 500.00 DICKITE Al2Si2O5(OH)4 Dck Al(2)Si(2)O(9)H(4) ref:1,7 5.May.78 999999.0 999999.0 47.100 99.300 72.770000 29.200000 -21.520000 1000.00 DIOPSIDE CaMg(SiO3)2 Di Ca(1)Mg(1)Si(2)O(6) ref:1,19 15.Mar.90 -723780.0 -765378.0 34.200 66.090 52.870000 7.840000 -15.740000 1600.00 DOLOMITE CaMg(CO3)2 Dol Ca(1)Mg(1)C(2)O(6) ref:1,19 15.Mar.90 -517760.0 -556631.0 37.090 64.365 41.557000 23.952000 -9.884000 1000.00 DOLOMITE,DISORDERED CaMg(CO3)2 Dis-Dol Ca(1)Mg(1)C(2)O(6) ref:1,19 15.Mar.90 -515653.0 -553704.0 39.840 64.390 44.711000 17.779000 -10.948000 1000.00 DOLOMITE,ORDERED CaMg(CO3)2 Ord-Dol Ca(1)Mg(1)C(2)O(6) ref:1,19 15.Mar.90 -517760.0 -556631.0 37.090 64.340 44.711000 17.779000 -10.948000 1000.00 EPIDOTE Ca2FeAl2Si3O12(OH) Ep Ca(2)Fe(1)Al(2)Si(3)O(13)H(1) ref:1,19 15.Mar.90 -1450906.0 -1543992.0 75.280 139.200 117.622000 12.816000 -31.864000 1100.00 EPIDOTE,ORDERED Ca2FeAl2Si3O12(OH) Ord-Ep Ca(2)Fe(1)Al(2)Si(3)O(13)H(1) ref:1,19 15.Mar.90 -1450906.0 -1544016.0 75.200 139.200 113.780000 14.690000 -28.920000 1100.00 FAYALITE Fe2SiO4 Fa Fe(2)Si(1)O(4) ref:1 5.May.78 -330233.0 -354119.0 35.450 46.390 36.510000 9.360000 -6.700000 1490.00 FERROPARGASITE Na(Ca2Fe4Al)(Al2Si6)O22(OH)2 Fe-Prg Na(1)Ca(2)Fe(4)Al(3)Si(6)O(24)H(2) ref:1 5.May.78 TMM added H estimated from Vieillard 1994 -2526187.0 -2686900.0 185.500 279.890 213.570000 42.990000 -47.290000 1000.00 FERROTREMOLITE (Ca2Fe5)Si8O22(OH)2 Fe-Tr Ca(2)Fe(5)Si(8)O(24)H(2) ref:1 5.May.78 TMM added H estimated from Vieillard 1994 -2349100.0 -2511300.0 163.500 282.800 197.930000 58.950000 -41.170000 800.00 FERROUS-OXIDE FeO Frs-Ox Fe(1)O(1) ref:1 5.May.78 -60097.0 -65020.0 14.520 12.000 12.122000 2.072000 -0.750000 1600.00 FLUORITE CaF2 Fl Ca(1)F(2) ref:1 5.May.78 -280493.0 -293000.0 16.390 24.542 14.300000 7.280000 0.470000 1424.00 FLUORPHLOGOPITE KMg3(AlSi3)O10(F)2 F-Phl K(1)Mg(3)Al(1)Si(3)O(10)F(2) ref:1,7 5.May.78 999999.0 999999.0 80.380 146.370 96.130000 26.740000 -20.410000 1000.00 FLUORTREMOLITE (Ca2Mg5)Si8O22(F)2 F-Tr Ca(2)Mg(5)Si(8)O(22)F(2) ref:1 5.May.78 999999.0 999999.0 129.400 270.450 183.740000 55.250000 -43.730000 800.00 FORSTERITE Mg2SiO4 Fo Mg(2)Si(1)O(4) ref:1 5.May.78 -491564.0 -520000.0 22.750 43.790 35.810000 6.540000 -8.520000 1800.00 GALENA PbS Gn Pb(1)S(1) ref:1 5.May.78 -23115.0 -23500.0 21.800 31.490 11.170000 2.200000 0.000000 1388.00 GEHLENITE Ca2(Al2Si)O7 Gh Ca(2)Al(2)Si(1)O(7) ref:1,19 15.Mar.90 -903148.0 -951225.0 48.100 90.240 63.740000 8.000000 -15.120000 1800.00 GIBBSITE Al(OH)3 Gbs Al(1)O(3)H(3) ref:1 5.May.78 -276168.0 -309065.0 16.750 31.956 8.650000 45.600000 0.000000 425.00 GLAUCOPHANE Na2(Mg3Al2)Si8O22(OH)2 Gln Na(2)Mg(3)Al(2)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 130.000 269.700 190.260000 59.360000 -50.010000 800.00 GOLD,NATIVE Au Au Au(1) ref:1 5.May.78 0.0 0.0 11.330 10.215 5.660000 1.240000 0.000000 1336.00 GRAPHITE C Gr C(1) ref:1 5.May.78 0.0 0.0 1.372 5.298 4.030000 1.140000 -2.040000 2500.00 GREENALITE Fe3Si2O5(OH)4 Grn Fe(3)Si(2)O(9)H(4) ref:1 5.May.78 DCS-delG; mds-delH -715340.0 -644110.0 72.600 115.000 81.650000 32.600000 -15.390000 1000.00 GROSSULAR Ca3Al2Si3O12 Grs Ca(3)Al(2)Si(3)O(12) ref:1,19 15.Mar.90 -1496307.0 -1582737.0 60.870 125.300 104.017000 17.013000 -27.318000 1000.00 GRUNERITE Fe7Si8O22(OH)2 Gru Fe(7)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 163.300 256.670 198.830000 60.930000 -39.550000 800.00 HALITE NaCl Hl Na(1)Cl(1) ref:1 5.May.78 -91807.0 -98260.0 17.240 27.015 10.980000 3.900000 0.000000 1073.00 HALLOYSITE Al2Si2O5(OH)4 Hal Al(2)Si(2)O(9)H(4) ref:1,7 5.May.78 999999.0 999999.0 48.520 99.300 72.770000 29.200000 -21.520000 1000.00 HEDENBERGITE CaFe(SiO3)2 Hd Ca(1)Fe(1)Si(2)O(6) ref:1,19 5.Mar.90 -638998.0 -678276.0 40.700 68.270 54.810000 8.170000 -15.010000 1600.00 HUNTITE CaMg3(CO3)4 Hun Ca(1)Mg(3)C(4)O(12) ref:1 5.May.78 -1004710.0 -1082600.0 71.590 122.900 84.170000 42.860000 -20.440000 1000.00 HYDROMAGNESITE Mg5(OH)2(CO3)4*4H20 Hydro-Mgs Mg(5)C(4)O(18)H(10) ref:1 5.May.78 -1401687.0 -1557090.0 129.380 208.800 141.460000 65.280000 -21.670000 1000.00 JADEITE NaAl(SiO3)2 Jd Na(1)Al(1)Si(2)O(6) ref:1 5.May.78 -679445.0 -722116.0 31.900 60.400 48.160000 11.420000 -11.870000 1400.00 K-FELDSPAR K(AlSi3)O8 K-Fs K(1)Al(1)Si(3)O(8) ref:1 5.May.78 -895374.0 -949188.0 51.130 108.870 76.617000 4.311000 -29.945000 1400.00 KAOLINITE Al2Si2O5(OH)4 Kln Al(2)Si(2)O(9)H(4) ref:1 5.May.78 -905614.0 -982221.0 48.530 99.520 72.770000 29.200000 -21.520000 1000.00 KYANITE Al2SiO5 Ky Al(2)Si(1)O(5) ref:1 5.May.78 -580956.0 -616897.0 20.000 44.090 41.393132 6.816463 -12.882104 466.00 LAURITE RuS2(s) laur RU(1)S(2)(S) ref:G12 10.JUN.92 -45030.0 -47680.0 13.200 25.560 17.012000 1.618000 -1.462000 1500.00 LAUMONTITE Ca(Al2Si4)O12*4H2O lamt Ca(1)Al(2)Si(4)O(16)H(8) ref:1,19 15.Mar.90 -1596823.0 -1728664.0 116.100 207.550 123.200000 44.470000 -16.430000 1000.00 LEONHARDITE Ca2(Al4Si8)O24*7H2O Lnr Ca(2)Al(4)Si(8)O(31)H(14) ref:1 5.May.78 999999.0 999999.0 220.400 407.860 235.000000 88.940000 -32.860000 1000.00 LIME CaO Lim Ca(1)O(1) ref:1 5.May.78 -144366.0 -151790.0 9.500 16.764 11.670000 1.080000 -1.560000 2000.00 MAGNESITE MgCO3 Mgs Mg(1)C(1)O(3) ref:1 5.May.78 -245658.0 -265630.0 15.700 28.018 19.731000 12.539000 -4.748000 1000.00 MALACHITE Cu2(OH)2(CO3) Mal Cu(2)C(1)O(5)H(2) ref:1 5.May.78 -214204.0 -251900.0 44.500 54.860 27.760000 43.780000 -1.340000 780.00 MANGANOSITE MnO Mng Mn(1)O(1) ref:1,6 5.May.78 -86735.0 -92070.0 14.270 13.221 11.110000 1.940000 -0.880000 1800.00 MERWINITE Ca3Mg(SiO4)2 Mer Ca(3)Mg(1)Si(2)O(8) ref:1,19 15.Mar.90 -1036526.0 -1090796.0 60.500 104.400 72.970000 11.960000 -14.440000 1700.00 METACINNABAR HgS Met-Cin Hg(1)S(1) ref:1 5.May.78 -10437.0 -11800.0 21.200 30.169 10.520000 3.630000 0.000000 1000.00 MICROCLINE,MAXIMUM K(AlSi3)O8 Max-Mc K(1)Al(1)Si(3)O(8) ref:1 5.May.78 -895374.0 -949188.0 51.130 108.741 63.830000 12.900000 -17.050000 1400.00 MINNESOTAITE Fe3Si4O10(OH)2 Mnn Fe(3)Si(4)O(12)H(2) ref:1 5.May.78 999999.0 999999.0 83.500 147.860 88.310000 42.610000 -11.150000 800.00 MONTICELLITE CaMgSiO4 Mtc Ca(1)Mg(1)Si(1)O(4) ref:1 5.May.78 -512829.0 -540800.0 26.400 51.470 36.820000 5.340000 -8.000000 1400.00 MUSCOVITE KAl2(AlSi3)O10(OH)2 Ms K(1)Al(3)Si(3)O(12)H(2) ref:1 5.May.78 -1336301.0 -1427408.0 68.800 140.710 97.560000 26.380000 -25.440000 1000.00 NEPHELINE Na(AlSi)O4 Ne Na(1)Al(1)Si(1)O(4) ref:1 5.May.78 -472872.0 -500241.0 29.720 54.160 35.908062 6.457918 -7.327965 1500.00 PALLADIUM Pd Pd Pd ref:G12 14.APR.92 0.0 0.0 9.040 8.861 5.730000 1.418000 -0.085000 1800.00 PARAGONITE NaAl2(AlSi3)O10(OH)2 Pg Na(1)Al(3)Si(3)O(12)H(2) ref:1 5.May.78 -1326012.0 -1416963.0 66.400 132.530 97.430000 24.500000 -26.440000 1000.00 PARGASITE Na(Ca2Mg4Al)(Al2Si6)O22(OH)2 Prg Na(1)Ca(2)Mg(4)Al(3)Si(6)O(24)H(2) ref:1,19 15.Mar.90 -2846728.0 -3016624.0 160.000 273.500 205.800000 41.660000 -50.210000 1000.00 PERICLASE MgO Per Mg(1)O(1) ref:1 5.May.78 -136086.0 -143800.0 6.440 11.248 10.180000 1.740000 -1.480000 2100.00 PHLOGOPITE KMg3(AlSi3)O10(OH)2 Phl K(1)Mg(3)Al(1)Si(3)O(12)H(2) ref:1 5.May.78 -1396187.0 -1488067.0 76.100 149.660 100.610000 28.780000 -21.500000 1000.00 PLATINUM Pt Pt Pt ref:G12 14.APR.92 0.0 0.0 9.950 9.090 5.831000 1.255000 -0.019000 2000.00 POTASSIUM-OXIDE K2O K-Ox K(2)O(1) ref:1 5.May.78 -77056.0 -86800.0 22.500 40.380 18.510000 8.650000 -0.880000 1100.00 PYRITE FeS2 Py Fe(1)S(2) ref:1 5.May.78 -38293.0 -41000.0 12.650 23.940 17.880000 1.320000 -3.050000 1000.00 PYROPHYLLITE Al2Si4O10(OH)2 Prl Al(2)Si(4)O(12)H(2) ref:1 5.May.78 -1255997.0 -1345313.0 57.200 126.600 79.432000 39.214000 -17.282000 800.00 Pd(OH)2(s) Pd(OH)2(s) Pd(1)O(2)H(2)+(0) ref:G12 9.APR.92 -72000.0 -92100.0 21.700 28.380 17.750000 10.080000 -0.273000 1000.00 Pd4S(s) Pd4S Pd4S Pd(4)S(1)+(0)(s) ref:G12 9.APR.92 -16300.0 -16500.0 43.180 44.030 24.000000 11.660000 0.000000 1034.00 PdO(s) PdO(s) Pd(1)O(1)+(0)(s) ref:G12 9.APR.92 -14330.0 -20400.0 13.200 14.680 10.753000 1.844000 -0.273000 1143.00 PdS(s) Vysotskite PdS(s) Pd(1)S(1)+(0)(s) ref:G12 30.MAR.95 -16000.0 -16900.0 13.500 20.650 9.970000 4.110000 -0.730000 1245.00 PtS(s) Cooperite PtS(s) Pt(1)S(1)(s) ref:G12 9.apr.92 -18600.0 -19900.0 13.160 22.150 9.970000 4.110000 -0.730000 1500.00 PtS2(s) PtS2 PtS2 Pt(1)S(2)(s) ref:G12 9.APR.92 -24200.0 -26400.0 17.850 32.746 16.390000 3.770000 -1.570000 1500.00 RHODIUM Rh Rh Rh ref:G12 14.APR.92 0.0 0.0 7.530 8.281 5.730000 1.895000 -0.333000 1800.00 RHODOCHROSITE MnCO3 Rds Mn(1)C(1)O(3) ref:1 5.May.78 -195045.0 -212521.0 23.900 31.075 21.990000 9.300000 -4.690000 700.00 RICHTERITE Na2(CaMg5)Si8O22(OH)2 Rct Na(2)Ca(1)Mg(5)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 137.600 272.800 194.800000 61.100000 -46.150000 800.00 ROMARCHITE SnO Sn-Ox Sn(1)O(1) ref:12 5.May.78 -61459.0 -68340.0 13.660 20.895 9.550000 3.500000 0.000000 1237.00 RUTHENIUM Ru Ru Ru ref:G12 14.APR.92 0.0 0.0 6.820 8.175 5.000000 1.696000 0.223000 1400.00 RUTILE TiO2 TiO2 Ti(1)O(2) REF:7,9 31.MAR.92 -212883.0 -226101.0 12.020 18.820 15.014420 2.720501 -2.365364 1800.00 Rh2O(s) RH2O Rh2O(s) Rh(2)O(1)(s) ref:G12 9.APR.92 -19100.0 -22700.0 27.400 0.000 15.590000 6.470000 0.000000 1273.00 Rh2O3(s) Rh2O3 Rh2O3(s) Rh(2)O(3)(s) ref:G12 9.APR.92 -48300.0 -68300.0 21.530 31.370 20.740000 13.800000 0.001100 1300.00 RuO2(s) Ru(1)O(2) RuO2(s) Ru(1)O(2)(s) ref:G12 9.APR.92 -60490.0 -73420.0 12.500 19.050 16.700000 2.500000 -3.550000 1300.00 SANIDINE,HIGH K(AlSi3)O8 Hi-Sa K(1)Al(1)Si(3)O(8) ref:1 5.May.78 -893738.0 -946538.0 54.530 109.008 63.830000 12.900000 -17.050000 1400.00 SEPIOLITE Mg4Si6O15(OH)2(H2O)2*4H2O Sep Mg(4)Si(6)O(23)H(14) ref:1 5.May.78 -2211192.0 -2418000.0 146.600 285.600 157.920000 104.300000 -18.680000 800.00 SIDERITE FeCO3 Sd Fe(1)C(1)O(3) ref:1,13 5.May.78 -162414.0 -179173.0 25.100 29.378 11.630000 26.800000 0.000000 885.00 SILLIMANITE Al2SiO5 Sil Al(2)Si(1)O(5) ref:1 5.May.78 -580091.0 -615099.0 23.130 49.900 40.023988 7.390511 -11.674053 1200.00 SILVER,NATIVE Ag Ag Ag(1) ref:1 5.May.78 0.0 0.0 10.170 10.272 5.090000 2.040000 0.360000 1234.00 SMITHSONITE ZnCO3 Smt Zn(1)C(1)O(3) ref:1 5.May.78 -174850.0 -194260.0 19.700 28.275 9.300000 33.000000 0.000000 780.00 SODIUM-OXIDE Na2O Na-Ox Na(2)O(1) ref:1 5.May.78 -89883.0 -99140.0 17.935 25.000 18.250000 4.890000 -2.890000 1000.00 SPHALERITE ZnS Sp Zn(1)S(1) ref:1 5.May.78 -47947.0 -49000.0 14.019 23.830 11.770000 1.260000 -1.160000 1300.00 SPINEL MgAl2O4 Spn Mg(1)Al(2)O(4) ref:1 5.May.78 -517006.0 -546847.0 19.270 39.710 36.772808 6.415456 -9.708792 2000.00 STAUROLITE Fe2Al9Si4O23(OH) St Fe(2)Al(9)Si(4)O(24)H(1) ref:1 5.May.78 999999.0 999999.0 117.100 224.400 207.120000 36.940000 -57.220000 1000.00 STRONTIANITE SrCO3 Str Sr(1)C(1)O(3) ref:1 5.May.78 -275470.0 -294600.0 23.200 39.010 23.520000 6.320000 -5.080000 1197.00 SYLVITE KCl Sy K(1)Cl(1) ref:1 5.May.78 -97735.0 -104370.0 19.730 37.524 9.890000 5.200000 0.770000 1043.00 TALC Mg3Si4O10(OH)2 Tcl Mg(3)Si(4)O(12)H(2) ref:1 5.May.78 -1320188.0 -1410920.0 62.340 136.250 82.482000 41.614000 -13.342000 800.00 TENORITE CuO Tn Cu(1)O(1) ref:1 5.May.78 -30568.0 -37200.0 10.180 12.220 11.530000 1.880000 -1.760000 1600.00 TITANITE CaTiSiO5 Ti-SPHENE Ca(1)Ti(1)Si(1)O(5) 7,9,19 31.MAR.92 -587349.0 -621180.0 30.880 55.650 42.234220 5.703951 -9.525038 1800.00 TREMOLITE (Ca2Mg5)Si8O22(OH)2 Tr Ca(2)Mg(5)Si(8)O(24)H(2) ref:1,19 15.Mar.90 -2770245.0 -2944038.0 131.190 272.920 188.222000 57.294000 -44.822000 800.00 URANINITE UO2 UO2 U(1)O(2) ref: G11 8.SEP.94 -246610. -259320. 18.40 24.638 15.0033 7.586 -1.83867 600.0 PdS2 PdS2 PdS2(s) Pd(1)S(2)(s) ref:G12 30.MAR.95 -17700.0 -18700.0 21.000 34.300 16.390000 3.770000 -1.570000 1245.00 WAIRAKITE Ca(Al2Si4)O12*2H2O Wai Ca(1)Al(2)Si(4)O(14)H(4) ref:1,19 15.Mar.90 -1477432.0 -1579333.0 105.100 186.870 100.400000 44.470000 -16.430000 1000.00 WOLLASTONITE CaSiO3 Wo Ca(1)Si(1)O(3) ref:1,19 15.Mar.90 -369225.0 -389590.0 19.600 39.930 26.640000 3.600000 -6.520000 1400.00 WURTZITE ZnS Wur Zn(1)S(1) ref:1 5.May.78 -44810.0 -45850.0 14.064 23.846 11.820000 1.160000 -1.040000 1300.00 ZINCITE ZnO Znc Zn(1)O(1) ref:G9A 5.May.78 -76596.0 -83762.0 10.430 14.338 11.710000 1.220000 -2.180000 2000.00 ZOISITE Ca2Al3Si3O12(OH) Zo Ca(2)Al(3)Si(3)O(13)H(1) ref:1,19 15.Mar.90 -1549179.0 -1643691.0 70.740 135.900 106.118000 25.214000 -27.145000 700.00 LITHARGE PbO LITHARGE Pb(1)O(1) ref:G9A 11.APR.95 -45220. -52540. 15.85 23.91 12.193 2.455 -1.7656 2000. ************************************************************************ minerals that undergo one phase transition ************************************************************************ ALBITE Na(AlSi3)O8 Ab Na(1)Al(1)Si(3))O(8) ref:1 5.May.78 -886308.0 -939680.0 49.510 100.250 61.700000 13.900000 -15.010000 473.00 999999.0 999999.000 999999.000 81.880000 3.554000 -50.154000 1200.00 ALBITE,HIGH NaAlSi3O8 Hi-Ab Na(1)Al(1)Si(3)O(8) ref:1 5.May.78 -884509.0 -937050.0 52.300 100.430 61.700000 13.900000 -15.010000 623.00 999999.0 999999.000 999999.000 64.170000 13.900000 -15.010000 1400.00 ALMANDINE Fe3Al2Si3O12 Alm Fe(3)Al(2)Si(3)O(12) ref:1 5.May.78 999999.0 999999.0 75.600 115.280 97.520000 33.640000 -18.730000 848.00 999999.0 999999.000 999999.000 107.090000 14.860000 -10.630000 1600.00 AMESITE,14A Mg4Al2(Al2Si2)O10(OH)8 14A-Am Mg(4)Al(4)Si(2)O(18)H(8) ref:1 5.May.78 999999.0 999999.0 108.900 205.400 172.590000 34.980000 -41.670000 848.00 999999.0 999999.000 999999.000 169.400000 41.240000 -44.370000 1000.00 ANTIGORITE Mg48Si34O85(OH)62 Atg Mg(48)Si(34)O(147)H(62) ref:1 5.May.78 -15808020.0 -17070891.0 861.360 1749.130 1228.450000 513.760000 -286.680000 848.00 999999.0 999999.000 999999.000 1234.830000 501.240000 -281.280000 1000.00 CLINOCHLORE,7A Mg5Al(AlSi3)O10(OH)8 7A-Cnc Mg(5)Al(2)Si(3)O(18)H(8) ref:1 5.May.78 -1957101.0 -2113197.0 106.500 211.500 162.820000 50.620000 -40.880000 848.00 999999.0 999999.000 999999.000 166.010000 44.360000 -38.180000 900.00 COESITE SiO2 Cos Si(1)O(2) ref:1 5.May.78 -203541.0 -216614.0 9.650 20.641 11.000000 8.200000 -2.700000 848.00 999999.0 999999.000 999999.000 14.190000 1.940000 0.000000 2000.00 CRISTOBALITE SiO2 Crs Si(1)O(2) ref:1 5.May.78 -203895.0 -216755.0 10.372 25.740 13.980000 3.340000 -3.810000 543.00 321.0 999999.000 999999.000 17.390000 0.310000 -9.890000 2000.00 DAPHNITE,7A Fe5Al(AlSi3)O10(OH)8 7A-Dph Fe(5)Al(2)Si(3)O(18)H(8) ref:1 5.May.78 999999.0 999999.0 138.900 221.200 172.530000 52.280000 -37.230000 848.00 999999.0 999999.000 999999.000 175.720000 46.020000 -34.630000 1000.00 EDENITE Na(Ca2Mg5)(AlSi7)O22(OH2) Ed Na(1)Ca(2)Mg(5)Al(1)Si(7)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 161.000 271.000 199.710000 48.780000 -46.010000 848.00 999999.0 999999.000 999999.000 202.900000 42.520000 -43.310000 1000.00 EPISTILBITE Ca(Al2Si6)O16*5H2O Eps Ca(1)Al(2)Si(6)O(21)H(10) ref:1 5.May.78 999999.0 999999.0 152.900 267.560 157.040000 60.870000 -21.830000 848.00 999999.0 999999.000 999999.000 163.420000 48.350000 -16.430000 1000.00 FERROEDENITE Na(Ca2Fe5)(AlSi7)O22(OH)2 Fe-Ed Na(1)Ca(2)Fe(5)Al(1)Si(7)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 193.700 280.900 209.420000 50.440000 -42.360000 848.00 999999.0 999999.000 999999.000 212.610000 44.180000 -39.660000 1000.00 FERROSILITE FeSiO3 Fs Fe(1)Si(1)O(3) ref:1,13 5.May.78 -267588.0 -285658.0 21.630 32.952 26.490000 5.070000 -5.550000 413.00 37.0 0.056 67.000 23.865000 8.780000 -4.700000 1400.00 FLUOREDENITE Na(Ca2Mg5)(AlSi7)O22(F)2 Fl-Ed Na(1)Ca(2)Mg(5)Al(1)Si(7)O(22)F(2) ref:1 5.May.78 999999.0 999999.0 146.700 272.500 195.230000 46.740000 -44.920000 848.00 999999.0 999999.000 999999.000 198.420000 40.480000 -42.220000 1000.00 HEULANDITE Ca(Al2Si7)O18*6H2O Hul Ca(1)Al(2)Si(7)O(24)H(12) ref:1 5.May.78 999999.0 999999.0 182.400 316.370 179.660000 69.070000 -24.530000 848.00 999999.0 999999.000 999999.000 189.230000 50.290000 -16.430000 1000.00 KALSILITE K(AlSi)O4 Kls K(1)Al(1)Si(1)O(4) ref:1 5.May.78 -481750.0 -509408.0 31.850 59.890 29.430000 17.360000 -5.320000 810.00 160.0 999999.000 999999.000 42.500000 0.000000 0.000000 1800.00 LAWSONITE CaAl2Si2O7(OH)2*H2O Lws Ca(1)Al(2)Si(2)O(10)H(4) ref:1,19 15.Mar.90 -1073408.0 -1158104.0 55.800 101.320 81.800000 23.360000 -16.260000 848.00 999999.0 999999.000 999999.000 84.990000 17.100000 -13.560000 1000.00 MAGNETITE Fe3O4 Mag Fe(3)O(4) ref:1 5.May.78 -242574.0 -267250.0 34.830 44.524 21.880000 48.200000 0.000000 900.00 999999.0 999999.000 999999.000 48.000000 0.000000 0.000000 1800.00 MARGARITE CaAl2(Al2Si2)O10(OH)2 Mrg Ca(1)Al(4)Si(2)O(12)H(2) ref:1,19 15.Mar.90 -1394150.0 -1485803.0 63.800 129.400 102.500000 16.350000 -28.050000 848.00 999999.0 999999.000 999999.000 99.310000 22.610000 -30.750000 1000.00 NATROLITE Na2(Al2Si3)O10*2H2O Ntr Na(2)Al(2)Si(3)O(12)H(4) ref:1 5.May.78 999999.0 999999.0 101.600 169.720 95.760000 40.080000 -15.060000 848.00 999999.0 999999.000 999999.000 92.570000 46.340000 -17.760000 1000.00 NESQUEHONITE MgCO3*3H2O Nsh Mg(1)C(1)O(6)H(6) ref:1 5.May.78 -412035.0 -472576.0 46.760 74.790 -1574.804000 3899.173000 -417.325000 306.50 184.0 999999.000 999999.000 25.246000 91.289000 -4.222000 340.00 NICKEL Ni Ni Ni(1) ref:1 5.May.78 0.0 0.0 7.140 6.588 4.060000 7.040000 0.000000 633.00 0.0 999999.000 999999.000 6.000000 1.800000 0.000000 1725.00 PHILLIPSITE,CA Ca(Al2Si5)O14*5H2O Ca-Php Ca(1)Al(2)Si(5)O(19)H(10) ref:1 5.May.78 999999.0 999999.0 166.600 265.000 145.820000 52.670000 -19.130000 848.00 999999.0 999999.000 999999.000 149.010000 46.410000 -16.430000 1000.00 PHILLIPSITE,K K2(Al2Si5)O14*5H2O K-Php K(2)Al(2)Si(5)O(19)H(10) ref:1 5.May.78 999999.0 999999.0 172.100 265.000 152.660000 60.240000 -18.450000 848.00 999999.0 999999.000 999999.000 155.850000 53.980000 -15.750000 1000.00 PHILLIPSITE,NA Na2(Al2Si5)O14*5H2O Na-Php Na(2)Al(2)Si(5)O(19)H(10) ref:1 5.May.78 999999.0 999999.0 172.400 265.000 152.400000 56.480000 -20.460000 848.00 999999.0 999999.000 999999.000 155.590000 50.220000 -17.760000 1000.00 PREHNITE Ca2Al2Si3O10(OH)2 Prh Ca(2)Al(2)Si(3)O(12)H(2) ref:1,19 15.Mar.90 -1390097.0 -1481649.0 65.000 140.330 91.600000 37.820000 -19.600000 848.00 999999.0 999999.000 999999.000 101.170000 19.040000 -11.500000 1000.00 PYROPE Mg3Al2Si3O12 Prp Mg(3)Al(2)Si(3)O(12) ref:1,7 5.May.78 999999.0 999999.0 62.300 113.270 91.690000 32.640000 -20.920000 848.00 999999.0 999999.000 999999.000 101.260000 13.860000 -12.820000 1800.00 QUARTZ SiO2 Qtz Si(1)O(2) ref:1 5.May.78 -204646.0 -217650.0 9.880 22.688 11.220000 8.200000 -2.700000 848.00 290.0 0.372 38.500 14.410000 1.940000 0.000000 2000.00 QUICKSILVER Hg Hg Hg(1) ref:1 5.May.78 0.0 0.0 18.170 14.822 6.440000 0.000000 0.190000 629.00 14140.0 999999.000 999999.000 4.970000 0.000000 0.000000 3000.00 SPESSARTINE Mn3Al2Si3O12 Sps Mn(3)Al(2)Si(3)O(12) ref:1 5.May.78 999999.0 999999.0 74.500 117.900 94.480000 33.240000 -19.120000 848.00 999999.0 999999.000 999999.000 104.050000 14.460000 -11.020000 1800.00 STILBITE NaCa2(Al5Si13)O36*14H2O Stb Na(1)Ca(2)Al(5)Si(13)O(50)H(28) ref:1 5.May.78 999999.0 999999.0 399.300 649.910 390.550000 137.680000 -49.840000 848.00 999999.0 999999.000 999999.000 400.120000 118.900000 -41.740000 1000.00 TIN,NATIVE Sn Sn Sn(1) ref:12 Aug.85 0.0 0.0 12.240 16.289 4.420000 6.300000 0.000000 505.06 1680.0 999999.000 999999.000 7.300000 0.000000 0.000000 3000.00 ************************************************************************ minerals that undergo two phase transitions ************************************************************************ ACANTHITE Ag2S Acn Ag(2)S(1) ref:1 5.May.78 -9446.0 -7550.0 34.300 34.200 15.630000 8.600000 0.000000 450.00 950.0 999999.000 999999.000 1.819000 53.000000 0.000000 620.00 600.0 999999.000 999999.000 21.600000 0.000000 0.000000 1000.00 AEGERINE NaFe(SiO3)2 Agt Na(1)Fe(1)Si(2)O(6) ref:1 5.May.78 999999.0 999999.0 36.700 64.370 46.160000 19.310000 -9.460000 950.00 999999.0 999999.000 999999.000 52.420000 10.010000 -7.680000 1050.00 999999.0 999999.000 999999.000 50.270000 10.890000 -7.680000 1400.00 ANTHOPHYLLITE Mg7Si8O22(OH)2 Ath Mg(7)Si(8)O(24)H(2) ref:1 5.May.78 -2715430.0 -2888749.0 128.600 264.400 180.682000 60.574000 -38.462000 903.00 999999.0 999999.000 999999.000 197.542000 41.614000 -13.342000 1258.00 999999.0 999999.000 999999.000 199.522000 41.614000 -13.342000 1800.00 BORNITE Cu5FeS4 Bn Cu(5)Fe(1)S(4) ref:1,16 5.May.78 -86704.0 -79922.0 99.290 98.600 49.760000 35.080000 -1.350000 485.00 1430.0 999999.000 999999.000 -34.310000 247.000000 0.000000 540.00 0.0 999999.000 999999.000 80.330000 -2.040000 0.000000 1200.00 BUNSENITE NiO Bsn Ni(1)O(1) ref:1 5.May.78 -50573.0 -57300.0 9.080 10.970 -4.990000 37.580000 3.890000 525.00 0.0 999999.000 999999.000 13.880000 0.000000 0.000000 565.00 0.0 999999.000 999999.000 11.180000 2.020000 0.000000 2000.00 CHALCOCITE Cu2S Cc Cu(2)S(1) ref:1 5.May.78 -20626.0 -19000.0 28.900 27.480 12.630000 18.820000 0.000000 376.00 920.0 999999.000 999999.000 26.780000 -7.350000 0.000000 717.00 287.0 999999.000 999999.000 20.320000 0.000000 0.000000 1400.00 CHALCOPYRITE CuFeS2 Ccp Cu(1)Fe(1)S(2) ref:1,16 5.May.78 -44900.0 -44453.0 31.150 42.830 20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000 -141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000 41.220000 0.000000 0.000000 1200.00 CRONSTEDTITE,7A Fe2Fe(FeSi)O5(OH)4 7A-Csd Fe(4)Si(1)O(9)H(4) ref:1 5.May.78 999999.0 999999.0 73.500 110.900 84.790000 41.840000 -12.476000 950.00 999999.0 999999.000 999999.000 97.300000 23.240000 -8.930000 1050.00 999999.0 999999.000 999999.000 93.010000 25.000000 -8.930000 1500.00 ENSTATITE MgSiO3 En Mg(1)Si(1)O(3) ref:1 5.May.78 -348930.0 -369686.0 16.200 31.276 24.550000 4.740000 -6.280000 903.00 166.0 0.020 384.615 28.765000 0.000000 0.000000 1258.00 390.0 1.090 11.900 29.260000 0.000000 0.000000 1800.00 FERROGEDRITE (Fe5Al2)(Al2Si6)O22(OH)2 Fe-Ged Fe(5)Al(4)Si(6)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 153.500 265.900 196.270000 58.390000 -39.010000 903.00 999999.0 999999.000 999999.000 204.700000 48.910000 -26.450000 1258.00 999999.0 999999.000 999999.000 205.690000 48.910000 -26.450000 1500.00 HASTINGSITE Na(Ca2Fe4Fe)(Al2Si6)O22(OH)2 Hs Na(1)Ca(2)Fe(5)Al(2)Si(6)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 189.200 280.300 211.570000 50.880000 -44.880000 950.00 999999.0 999999.000 999999.000 217.820000 41.580000 -43.100000 1050.00 999999.0 999999.000 999999.000 215.680000 42.460000 -43.100000 1500.00 HEMATITE Fe2O3 Hem Fe(2)O(3) ref:1 5.May.78 -178155.0 -197720.0 20.940 30.274 23.490000 18.600000 -3.550000 950.00 160.0 999999.000 999999.000 36.000000 0.000000 0.000000 1050.00 0.0 999999.000 999999.000 31.710000 1.760000 0.000000 1800.00 LARNITE Ca2SiO4 Lrn Ca(2)Si(1)O(4) ref:1,8 5.May.78 999999.0 999999.0 30.500 51.600 34.870000 9.740000 -6.260000 970.00 440.0 999999.000 999999.000 32.160000 11.020000 0.000000 1710.00 3390.0 999999.000 999999.000 49.000000 0.000000 0.000000 2000.00 MAGNESIOHASTINGSITE Na(Ca2Mg4Fe)(Al2Si6)O22(OH)2 Mg-Hs Na(1)Ca(2)Mg(4)Fe(1)Al(2)Si(6)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 163.800 273.800 203.800000 49.550000 -47.800000 950.00 999999.0 999999.000 999999.000 210.060000 40.250000 -46.020000 1050.00 999999.0 999999.000 999999.000 207.910000 41.130000 -46.020000 1500.00 MAGNESIORIEBECKITE Na2(Mg3Fe2)Si8O22(OH)2 Mg-Rbk Na(2)Mg(3)Fe(2)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 138.000 271.300 186.260000 75.140000 -45.180000 950.00 999999.0 999999.000 999999.000 198.770000 56.540000 -41.630000 1050.00 999999.0 999999.000 999999.000 194.480000 58.300000 -41.630000 1500.00 PYRRHOTITE FeS Po Fe(1)S(1) ref:1 5.May.78 -24084.0 -24000.0 14.410 18.200 5.190000 26.400000 0.000000 411.00 570.0 999999.000 999999.000 17.400000 0.000000 0.000000 598.00 120.0 999999.000 999999.000 12.200000 2.380000 0.000000 1468.00 RIEBECKITE Na2(Fe3Fe2)Si8O22(OH)2 Rbk Na(2)Fe(5)Si(8)O(24)H(2) ref:1 5.May.78 999999.0 999999.0 156.600 274.900 192.090000 76.140000 -42.990000 950.00 999999.0 999999.000 999999.000 204.600000 57.540000 -39.440000 1050.00 999999.0 999999.000 999999.000 200.310000 59.300000 -39.440000 1500.00 SULFUR S Sul S(1) ref:G13A 12.JUN.98 0.0 0.0 7.6 15.61 3.58 6.24 0.0 368.6 85.0 999999.000 999999.000 6.20 0.0 0.0 392. 335.0 999999.000 999999.000 8.73 0.0 0.0 717.8 ************************************************************************ minerals that undergo three phase transitions ************************************************************************ PD-OXYANNITE KFe3(AlSi3)O10(OH)O- Pd-Oxn K(1)Fe(3)Al(1)Si(3)O(12)H(1) ref:1 5.May.78 999999.0 999999.0 68.500 143.200 88.340000 54.120000 -18.060000 848.00 999999.0 999999.000 999999.000 97.910000 35.340000 -9.960000 950.00 999999.0 999999.000 999999.000 116.680000 7.440000 -4.630000 1050.00 999999.0 999999.000 999999.000 110.240000 10.080000 -4.630000 1100.00 ************************************************************************ gases ************************************************************************ Ar,g ARGON Ar(g) Ar(1) ref:6,8 27.Dec.89 0.0 0.0 37.008 0.000 4.968000 0.000000 0.000000 8000.00 CH4,g METHANE CH4(g) C(1)H(4) ref:6,8 15.Dec.87 -12122.4 -17880.0 44.518 0.000 5.650000 11.440000 -0.460000 1500.00 PHENOL,g PHENOL C6H6O(g) C(6)H(6)O(1) ref:G10 20.Nov.97 -7860. -23030. 75.4 0.000 30.424 27.016 -12.431 1000.00 ORTHO-CRESOL,g ORTHO-CRESOL C7H8O(g) C(7)H(8)O(1) ref:G10 20.Nov.97 -8860. -30740. 85.5 0.000 33.455 37.071 -12.088 1000.00 META-CRESOL,g META-CRESOL C7H8O(g) C(7)H(8)O(1) ref:G10 20.Nov.97 -9690. -31630. 85.3 0.000 33.367 37.017 -13.472 1000.00 PARA-CRESOL,g PARA-CRESOL C7H8O(g) C(7)H(8)O(1) ref:G10 20.Nov.97 -7380. -29970. 83.2 0.000 32.661 37.582 -12.782 1000.00 CO,g CARBON-MONOXIDE CO(g) C(1)O(1) ref:G2 18.Mar.93 -32784. -26416. 47.245 0.000 6.790000 0.980000 -0.110000 5000.00 CO2,g CARBON-DIOXIDE CO2(g) C(1)O(2) ref:6,8 27.Dec.89 -94254.0 -94051.0 51.085 0.000 10.570000 2.100000 -2.060000 2500.00 ETHYLENE,g C2H4 C2H4(g) C(2)H(4) ref:G2 22.SEP.93 16280.0 12500.0 52.450 0.000 8.3500 0.150000 -2.29000 1000.00 H2,g HYDROGEN H2(g) H(2) ref:6,8 27.Dec.89 0.0 0.0 31.234 0.000 6.520000 0.780000 0.120000 3000.00 H2O,g STEAM H2O(g) H(2)O ref:17 24.Mar.90 -54524.8 -57935.1 44.763 0.000 12.664700 -10.404100 0.013078 2523.15 H2S,g HYDROGEN-SULFIDE H2S(g) H(2)S(1) ref:6,8 27.Dec.89 -8021.0 -4931.0 49.185 0.000 7.810000 2.960000 -0.460000 2300.00 He,g HELIUM He(g) He(1) ref:6,8 27.Dec.89 0.0 0.0 30.151 0.000 4.968000 0.000000 0.000000 8000.00 Kr,g KRYPTON Kr(g) Kr(1) ref:6,8 27.Dec.89 0.0 0.0 39.217 0.000 4.968000 0.000000 0.000000 8000.00 N2,g NITROGEN N2(g) N(2) ref:6,8 27.Dec.89 0.0 0.0 45.796 0.000 6.830000 0.900000 -0.120000 3000.00 Ne,g NEON Ne(g) Ne(1) ref:6,8 27.Dec.89 0.0 0.0 34.973 0.000 4.968000 0.000000 0.000000 8000.00 NH3,g AMMONIA NH3(g) N(1)H(3) ref:6,8 26.Jul.89 -3932.0 -11021.0 46.000 0.000 7.110000 6.000000 -0.370000 1800.00 O2,g OXYGEN O2(g) O(2) ref:6,8 27.Dec.89 0.0 0.0 49.029 0.000 7.160000 1.000000 -0.400000 3000.00 Rn,g RADON Rn(g) Rn(1) ref:6,8 27.Dec.89 0.0 0.0 42.120 0.000 4.968000 0.000000 0.000000 3000.00 S2,g SULFUR S2(g) S(2) ref:6,8 27.Dec.89 18953.0 30681.0 54.540 0.000 8.720000 0.160000 -0.900000 3000.00 SO2,g SULFUR-DIOXIDE SO2(g) S(1)O(2) ref:6,8 27.Dec.89 -71748.0 -70944.0 59.330 0.000 11.040000 1.880000 -1.840000 2000.00 Xe,g XENON Xe(g) Xe(1) ref:6,8 27.Dec.89 0.0 0.0 40.555 0.000 4.968000 0.000000 0.000000 8000.00 ************************************************************************ aqueous species ************************************************************************ 1-BUTANAMINE,AQ C4H9NH2 1-BUAM(aq) C(4)H(11)N(1)+(0) ref:4 4.Sep.87 9410. -36110. 47.200 13.9266 19.7205 11.9476 -3.5941 91.9109 2.7736 -0.3748 0. 1-BUTANOL,AQ C4H9OH l-BUOL(aq) C(4)H(10)O(1)+(0) ref:4 2.Sep.87 -38840. -80320. 46.900 13.4902 17.9400 14.1816 -3.5205 94.8858 3.0034 -0.3702 0. 1-BUTENE,AQ C4H8 l-BUTE(aq) C(4)H(8)+(0) ref:4 4.Sep.87 20310. -5635. 43.400 12.0932 21.7476 -2.7991 -3.6779 61.5894 18.3335 -0.6572 0. 1-BUTYNE,AQ C4H6 l-BUTY(aq) C(4)H(6)+(0) ref:4 4.Sep.87 50030. 33400. 43.400 12.6132 23.0185 -3.3011 -3.7305 56.0218 16.3984 -0.6572 0. 1-HEPTANAMINE,AQ C7H15NH2 1-HPAM(aq) C(7)H(17)N(1)+(0) ref:4 4.Sep.87 16910. -51990. 66.900 20.3667 32.5921 13.0098 -4.1263 142.4729 6.9513 -0.6731 0. 1-HEPTANOL,AQ C7H15OH l-HPOL(aq) C(7)H(16)O(1)+(0) ref:4A 2.Jun.98 -34095. -97270. 72.100 19.7695 31.3977 12.9129 -4.0769 151.5815 7.7219 -0.7519 0. 1-HEPTENE,AQ C7H14 l-HEPTE(aq) C(7)H(14)+(0) ref:4 4.Sep.87 26450. -22670. 63.500 18.4766 37.3342 -8.9260 -4.3223 96.0586 31.2889 -0.9616 0. 1-HEPTYNE,AQ C7H12 l-HEPTY(aq) C(7)H(12)+(0) ref:4 4.Sep.87 56730. 16980. 63.700 18.9956 38.6015 -9.4245 -4.3747 90.4632 29.3537 -0.9647 0. 1-HEXANAMINE,AQ C6H13NH2 1-HXAM(aq) C(6)H(15)N(1)+(0) ref:4 4.Sep.87 14860. -46320. 60.200 18.2115 28.2822 12.6611 -3.9481 127.1903 5.6804 -0.5717 0. 1-HEXANOL,AQ C6H13OH l-HXOL(aq) C(6)H(14)O(1)+(0) ref:4A 2.Jun.98 -37060. -92690. 64.800 17.7843 27.4289 12.5890 -3.9128 126.8936 5.7074 -0.6413 0. 1-HEXENE,AQ C6H12 l-HEXE(aq) C(6)H(12)+(0) ref:4 4.Sep.87 24370. -17025. 56.800 16.3488 32.1387 -6.8838 -4.1075 84.5689 26.9704 -0.8602 0. 1-HEXYNE,AQ C6H10 l-HEXY(aq) C(6)H(10)+(0) ref:4 4.Sep.87 54420. 22340. 56.800 16.8688 33.4096 -7.3857 -4.1601 79.0012 25.0353 -0.8602 0. 1-OCTANAMINE,AQ C8H17NH2 1-OCAM(aq) C(8)H(19)N(1)+(0) ref:4 4.Sep.87 18960. -57660. 73.600 22.4671 36.7896 13.3574 -4.2998 159.8259 8.3844 -0.7746 0. 1-OCTANOL,AQ C8H17OH l-OCOL(aq) C(8)H(18)O(1)+(0) ref:4 2.Sep.87 -30250. -103060. 72.300 21.9264 35.7093 13.2670 -4.2551 169.4962 9.1280 -0.7549 0. 1-OCTENE,AQ C8H16 l-OCTE(aq) C(8)H(16)+(0) ref:4 4.Sep.87 28720. -28120. 70.200 20.6044 42.5297 -10.9682 -4.5371 107.5483 35.6073 -1.0631 0. 1-OCTYNE,AQ C8H14 l-OCTY(aq) C(8)H(14)+(0) ref:4 4.Sep.87 58860. 11330. 70.200 21.1244 43.8006 -11.4705 -4.5896 101.9808 33.6721 -1.0631 0. 1-PENTANAMINE,AQ C5H11NH2 l-PEAM(aq) C(5)H(13)N(1)+(0) ref:4 1.OCT.87 12800. -40650. 53.500 16.0701 24.0048 12.3010 -3.7713 110.0099 4.2608 -0.4702 0. 1-PENTANOL,AQ C5H11OH l-PEOL(aq) C(5)H(12)O(1)+(0) ref:4 2.Sep.87 -38470. -87730. 53.400 15.6573 22.6230 13.6464 -3.7141 111.9216 4.4095 -0.4687 0. 1-PENTENE,AQ C5H10 l-PENTE(aq) C(5)H(10)+(0) ref:4 4.Sep.87 22470. -11200. 50.100 14.2210 26.9431 -4.8413 -3.8927 73.0791 22.6520 -0.7587 0. 1-PENTYNE,AQ C5H8 l-PENTY(aq) C(5)H(8)+(0) ref:4 4.Sep.87 52160. 27800. 50.100 14.7410 28.2140 -5.3433 -3.9453 67.5117 20.7168 -0.7587 0. 1-PROPANAMINE,AQ C3H7NH2 1-PRAM(aq) C(3)H(9)N(1)+(0) ref:4 4.Sep.87 7010. -30680. 40.800 11.8178 15.5013 11.6113 -3.4197 72.9633 1.2188 -0.2779 0. 1-PROPANOL,AQ C3H7OH l-PROL(aq) C(3)H(8)O(1)+(0) ref:4 2.Sep.87 -41910. -75320. 41.400 11.3426 14.3252 12.1079 -3.3711 78.3142 1.6447 -0.2869 0. 1-PROPENE,AQ C3H6 l-PROP(aq) C(3)H(6)+(0) ref:4 4.Sep.87 17910. -290. 36.700 9.9655 16.5518 -0.7564 -3.4632 50.0997 14.0151 -0.5558 0. 1-PROPYNE,AQ C3H4 l-PRPY(aq) C(3)H(4)+(0) ref:4 4.Sep.87 47880. 38970. 36.700 10.4855 17.8227 -1.2588 -3.5157 44.5321 12.0799 -0.5558 0. 2-BUTANONE,AQ C4H8O 2-BUON(aq) C(4)H(8)O(1)+(0) ref:4 2.Sep.87 -36730. -67880. 50.300 12.9145 17.6967 11.7839 -3.5105 73.7083 1.3810 -0.4217 0. 2-HEPTANONE,AQ C7H14O 2-HPON(aq) C(7)H(14)O(1)+(0) ref:4 2.Sep.87 -30430. -84890. 70.100 19.2419 30.3392 12.8366 -4.0331 125.8091 5.6804 -0.7216 0. 2-HEXANONE,AQ C6H12O 2-HXON(aq) C(6)H(12)O(1)+(0) ref:4 2.Sep.87 -32480. -79220. 63.400 17.1141 26.0886 12.4806 -3.8574 108.4560 4.2473 -0.6201 0. 2-HYDROXYBUTANOATE C4H7O3- 2hybu8 C(4)H(7)O(3)-(1) ref:G6 17.JUN.92 -120550. -169810. 38.600 11.9172 20.2720 0.0242 -3.6169 64.6903 -3.5254 1.0449 -1. 2-HYDROXYBUTANOIC C4H8O3 2hybuac C(4)H(8)O(3)+(0) ref:G6 16.JUN.92 -125750. -169670. 56.500 13.3861 22.2951 2.5821 -3.7006 78.3729 3.7235 -0.2128 0. 2-HYDROXYDECANOATE C10H19O3- 2hydec8 C(10)H(19)O(3)-(1) ref:G6 16.JUN.92 -108380. -203930. 78.800 24.6277 49.0925 -6.5525 -4.8084 183.1446 -1.9837 0.4356 -1. 2-HYDROXYDECANOIC C10H20O3 2hydecac C(10)H(20)O(3)+(0) ref:G6 16.JUN.92 -113480. -203690. 96.700 26.3459 52.9848 -7.4315 -4.9693 182.4900 16.2909 0.0537 0. 2-HYDROXYHEPTANOATE C7H13O3- 2hyhep8 C(7)H(13)O(3)-(1) ref:G6 16.JUN.92 -114500. -186900. 58.700 18.2444 34.6247 -3.2651 -4.2103 123.9167 -2.7545 0.7402 -1. 2-HYDROXYHEPTANOIC C7H14O3 2hyhepac C(7)H(14)O(3)+(0) ref:G6 17.JUN.92 -119600. -186680. 76.600 19.8147 38.1868 -4.0817 -4.3375 130.4315 10.0072 -0.0795 0. 2-HYDROXYHEXANOATE C6H11O3- 2hyhex8 C(6)H(11)O(3)-(1) ref:G6 16.JUN.92 -116550. -181240. 52.000 16.1891 30.4279 -3.3776 -4.0368 104.1738 -3.0115 0.8417 -1. 2-HYDROXYHEXANOIC C6H12O3 2hyhexac C(6)H(12)O(3)+(0) ref:G6 16.JUN.92 -121650. -181010. 69.900 17.7690 33.3994 -2.6456 -4.1596 113.0787 7.9126 -0.1240 0. 2-HYDROXYNONANOATE C9H17O3- 2hynon8 C(9)H(17)O(3)-(1) ref:G6 16.JUN.92 -110420. -198250. 72.100 22.4999 44.2700 -5.4567 -4.6090 163.4021 -2.2406 0.5372 -1. 2-HYDROXYNONANOIC C9H18O3 2hynonac C(9)H(18)O(3)+(0) ref:G6 16.JUN.92 -115520. -198020. 90.000 24.1688 48.0543 -6.3200 -4.7655 165.1372 14.1963 0.0093 0. 2-HYDROXYOCTANOATE C8H15O3- 2hyoct8 C(8)H(15)O(3)-(1) ref:G6 16.JUN.92 -112450. -192570. 65.400 20.3721 39.4474 -4.3607 -4.4097 143.6592 -2.4976 0.6387 -1. 2-HYDROXYOCTANOIC C8H16O3 2hyoctac C(8)H(16)O(3)+(0) ref:G6 16.JUN.92 -117550. -192350. 83.300 21.9918 43.1173 -5.1928 -4.5614 147.7843 12.1018 -0.0351 0. 2-HYDROXYPENTANOATE C5H9O3- 2hypen8 C(5)H(9)O(3)-(1) ref:G6 17.JUN.92 -118800. -175770. 45.300 13.9490 24.1569 0.8050 -3.7775 84.4263 -3.2684 0.9427 -1. 2-HYDROXYPENTANOIC C5H10O3 2hypenac C(5)H(10)O(3)+(0) ref:G6 16.JUN.92 -123700. -175340. 63.200 15.4564 27.0371 1.3904 -3.8966 95.7257 5.8181 -0.1684 0. 2-OCTANONE,AQ C8H16O 2-OCON(aq) C(8)H(16)O(1)+(0) ref:4 2.Sep.87 -28380. -90560. 76.800 21.3697 34.5960 13.1769 -4.2091 143.1620 7.1135 -0.8231 0. 2-PENTANONE,AQ C5H10O 2-PEON(aq) C(5)H(10)O(1)+(0) ref:4 2.Sep.87 -34390. -73460. 56.300 15.0021 21.8653 12.1372 -3.6828 91.1588 2.8142 -0.5126 0. A-AMINOBUTYRIC,AQ C4H9NO2 ABA(aq) C(4)H(9)O(2)N(1)+(0) ref:4 4.Sep.87 -87120. -138180. 46.700 12.1092 16.0862 11.6529 -3.4439 50.6605 -0.4643 -0.3672 0. ACETAMIDE,AQ CH3CONH2 ACAMID C(2)H(5)O(1)N(1)+(0) REF:G2 18.MAR.93 -50860. -77290. 39.500 0.92939 14.3387 1.3439 -3.3717 37.6126 -1.1867 -0.3255 0. ACETATE C2H3O2- ACE- C(2)H(3)O(2)-(1) REF:G6 28.FEB.92 -88270. -116160. 20.600 7.7525 8.6996 7.5825 -3.1385 26.3000 -3.8600 1.3182 -1. ACETIC-ACID,AQ C2H4O2 ACAC(aq) C(2)H(4)O(2)+(0) REF:G6 6.MAR.92 -94760. -116100. 42.700 11.6198 5.2180 2.5088 -2.9946 42.0760 -1.5417 -0.1500 0. ACETONE,AQ C3H6O ACON(aq) C(3)H(6)O(1)+(0) ref:4 2.Sep.87 -38500. -61720. 44.400 10.8100 13.4912 11.4350 -3.3366 54.9496 -0.1534 -0.3324 0. ADIPATE,AQ C6H8O4-2 adi-2 C(6)H(8)O(4)-(2) REF:G6 16.JUN.92 -159390. -227780. 32.900 14.7868 26.7894 -1.4877 -3.8864 10.2229 -4.3931 2.7131 -2. ADIPIC-ACID,AQ C6H10O4 ADIAC C(6)H(10)O(4)+(0) REF:G6A 2.Jun.98 -172790. -229750. 81.300 17.5058 32.9525 -2.8895 -4.1412 73.6536 2.9529 -0.0484 0. ALANINE,AQ C3H7NO2 ALA(aq) C(3)H(7)O(2)N(1)+(0) ref:4 4.Sep.87 -88800. -132130. 40.000 9.9472 11.7629 11.3023 -3.2652 34.9589 -1.7751 -0.2658 0. ALANATE,AQ C3H6NO2 ALAN- C(3)H(6)O(2)N(1)-(1) REF:G7 28 JUN.93 -74660. -120910. 30.250 10.6281 17.3648 0.6505 -3.4968 12.6850 -4.1859 1.1700 -1. ALANYLGLYCINE,AQ C5H10N2O3 ALAGLY C(5)H(10)N(2)O(3)+(0) REF:G1 28.FEB.92 -116730. -186110. 50.700 14.6503 21.1640 12.0751 -3.6538 54.7374 0.7979 -0.4278 0. ASPARAGINE,AQ C4H8N2O3 ASN(aq) C(4)H(8)O(3)N(2)+(0) ref:4 4.Sep.87 -128650. -186660. 55.200 12.1587 16.1812 11.6715 -3.4478 29.4616 -2.0327 -0.4959 0. ASPARTIC-ACID,AQ C4H7NO4 ASP(aq) C(4)H(7)O(4)N(1)+(0) ref:4 4.Sep.87 -172400. -226370. 54.800 11.4232 14.7124 11.5470 -3.3871 29.9488 -1.9989 -0.4899 0. AZELAIC-ACID,AQ C9H16O4 AZEAC C(9)H(16)O(4)+(0) REF:G6 16.JUN.92 -163660. -240700. 101.600 23.9348 47.5253 -6.2031 -4.7436 125.8045 9.2464 0.0862 0. AZELATE,AQ C9H14O4-2 aze-2 C(9)H(14)O(4)-(2) REF:G6 16.JUN.92 -150130. -241660. 53.000 21.1627 41.2392 -4.7685 -4.4837 69.5701 -3.6211 2.4110 -2. Ag(CO3)- Ag(CO3)(-) Ag(CO3)- Ag(1)C(1)O(3)-(1) ref:5 29.Sep.97 -111430. -142490. 0. 2.2588 -2.2632 6.6326 -2.6854 15.2147 -5.1123 1.631 -1. Ag(CO3)2-3 Ag(CO3)2(-3) Ag(CO3)2-3 Ag(1)C(2)O(6)-(3) ref:5 29.Sep.97 -236890. -304200. -19. 3.7128 1.2872 5.2371 -2.8322 36.5589 -8.7993 5.0992 -3. Ag+ Ag(+) Ag+ Ag(1)+(1) ref:G9 07.Nov.97 18427. 25275. 17.54 1.7285 -3.5608 7.1496 -2.6318 12.7862 -1.4254 0.2160 1. Ag+2 Ag(+2) Ag+2 Ag(1)+(2) ref:2 16.Feb.88 64300. 64200. -21.000 -0.4299 -8.8310 9.2210 -2.4139 15.2224 -4.1142 1.3201 2. AgCl,aq AgCl(0) AgCl(aq) Ag(1)Cl(1)+(0) ref:5 16.Sep.97 -17450. -18270. 34.1 5.2088 4.9399 3.8015 -2.9832 9.8168 -1.6698 -0.03 0. AgCl2- AgCl2(-) AgCl2- Ag(1)Cl(2)-(1) ref:5 16.Sept.97 -51560. -61130. 47. 9.5149 15.4544 -0.3312 -3.4178 19.185 -1.4457 0.9169 -1. AgCl3-2 AgCl3(-2) AgCl3-2 Ag(1)Cl(3)-(2) ref:5 2.Oct.97 -82710. -105613. 44.5 14.504 27.6363 -5.1192 -3.9214 35.8339 -0.857 2.5402 -2. AgCl4-3 AgCl4(-3) AgCl4-3 Ag(1)Cl(4)-(3) ref:5 2.Oct.97 -112280. -150616. 35. 20.0386 41.1504 -10.4309 -4.4801 55.0238 0.243 4.2796 -3. AgOH,aq AgOH(0) AgOH(aq) Ag(1)O(1)H(1)+(0) ref:G9 14.Nov.97 -21900. -31800. 17.2 2.2885 -2.1912 6.6063 -2.6883 -0.3221 -5.1937 -0.0300 0. AgO- AgO(-1) AgO- Ag(1)O(1)-(1) ref:G9 14.Nov.97 -5500. -16300. 13.9 1.4640 -4.1994 7.3839 -2.6053 0.8786 -9.4103 1.4171 -1. AgNO3,aq AgNO3(0) AgNO3(aq) Ag(1)N(1)O(3)+(0) ref:5 2.Oct.97 -7738. -23320. 49. 6.766 8.7423 2.3069 -3.1404 24.1485 3.3372 -0.038 0. Al(OH)+2 Al(OH)(+2) Al(OH)+2 Al(1)O(1)H(1)+(2) ref:G9 3.jun.93 -165475. -183300. -44.200 2.0469 -2.7813 6.8375 -2.6639 29.7922 -0.3457 1.7247 2. Al+3 Al(+3) Al+3 Al(1)+(3) ref:G9 07.Nov.97 -115609. -126834. -77.7 -3.3802 -17.0071 14.5185 -2.0758 10.7 -8.06 2.7530 3. AlO+ AlO(+1) AlO+ Al(1)O(1)+(1) ref:G9 13.Nov.97 -158188. -170900. -27. 2.1705 -2.4811 6.7241 -2.6763 -2.5983 -9.1455 0.9570 1. AlOH+2 AlOH(+2) AlOH+2 Al(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -165475. -183300. -44.2 2.0469 -2.7813 6.8376 -2.6639 29.7923 -0.3457 1.7247 2. HAlO2,aq HAlO2(0) HAlO2(AQ) H(1)Al(1)O(2)+(0) ref:G9 13.Nov.97 -207700. -227500. 5. 3.5338 0.8485 5.4132 -2.8140 -23.4129 -13.2195 -0.0300 0. AlO2- AlO2(-1) AlO2- Al(1)O(2)-(1) ref:G9 07.Nov.97 -198693. -222125. -7.22 3.7221 3.9954 -1.5879 -2.9441 15.2391 -5.4585 1.7418 -1. Au+ Au(+) Au+ Au(1)+(1) ref:G9 13.Nov.97 39000. 47900. 25.6 3.5312 0.8428 5.4139 -2.8137 7.5089 -3.0956 0.1648 1. Au+3 Au(+3) Au+3 Au(1)+(3) ref:G9 13.Nov.97 103600. 97800. -54.8 -1.7167 -11.9654 10.4352 -2.2843 23.5775 -4.7048 2.4115 3. B(OH)3,aq B(OH)3(aq) B(OH)3(aq) B(1)O(3)H(3)+(0) ref:3 13.Jul.87 -231540. -256820. 37.000 7.0643 8.8547 3.5844 -3.1451 11.3568 -0.5902 -0.2000 0. BENZENE,AQ C6H6 BEN(aq) C(6)H(6)+(0) ref:4 4.Sep.87 32000. 12230. 35.500 13.1244 18.1143 11.8225 -3.5277 80.8626 1.7799 -0.1976 0. BENZOATE,AQ C7H5O2- BENZ8- C(7)H(5)O(2)-(1) REF:G6 17.JUN.92 -50400. -84990. 36.200 14.0396 25.0153 -0.8986 -3.8130 68.4490 -3.4828 1.0813 -1. BENZOIC-ACID,AQ C7H6O2 BENZAC C(7)H(6)O(2)+(0) REF:G6 28.FEB.92 -56130. -85070. 55.100 15.2056 27.7392 -1.7049 -3.9256 79.1665 3.8322 -0.2221 0. BF4- BF4(-) BF4- B(1)F(4)-(1) ref:2 16.Feb.88 -355400. -376400. 43.000 7.9796 11.7027 1.1504 -3.2628 11.8941 -4.1753 0.9779 -1. BO2- BO2(-) BO2- B(1)O(2)-(1) ref:G6 06.Nov.97 -162240. -184600. -8.9 -2.2428 -6.2065 -6.3216 -2.5224 -1.6521 -11.3863 1.7595 -1. BUTANE,AQ C4H10 BUT(aq) C(4)H(10)+(0) REF:4 15.JAN.93 36. -36230. 40.020 12.8905 23.6960 -3.5683 -3.7585 79.0569 24.2408 -0.6061 0. BUTANOIC-ACID,AQ C4H8O2 BUAC(aq) C(4)H(8)O(2)+(0) REF:G6 6.MAR.92 -91210. -127950. 56.100 13.2702 23.3487 -0.6985 -3.7441 72.4342 2.9924 -0.2155 0. Ba(CO3),aq Ba(CO3)(0) Ba(CO3)(aq) Ba(1)C(1)O(3)+(0) ref:5 JAN.91 -263830. -285850. 16.000 0.313 -7.018 8.509 -2.489 -14.578 -10.123 -0.038 0. Ba(HCO3)+ Ba(HCO3)(+1) Ba(HCO3) Ba(1)H(1)C(1)O(3)+(1) ref:G7A NOV.92 -275700. -294350. 46.83 7.882 11.464 1.244 -3.253 26.273 4.460 -0.158 1. Ba+2 Ba(+2) Ba+2 Ba(1)+(2) ref:G9 06.Nov.97 -134030. -128500. 2.3 2.7383 -10.0565 -0.0470 -2.3633 3.80 -3.450 0.9850 2. BaCl+ BaCl(+) BaCl+ Ba(1)Cl(1)+(1) ref:5 2.Oct.97 -164730. -165323. 24. 3.4534 0.6537 5.4861 -2.806 11.8213 -1.6759 0.1895 1. BaF+ BaF(+) BaF+ Ba(1)F(1)+(1) ref:5 2.Oct.97 -201120. -206510. 5.5 0.9652 -5.4218 7.874 -2.5548 16.7505 -0.8529 0.4675 1. BaOH+ BaOH(+) BaOH+ Ba(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -172300. -175900. 27.5 3.0700 -0.2825 5.8541 -2.7672 -5.7064 -7.5974 0.1362 1. Be+2 Be(+2) Be+2 Be(1)+(2) ref:G9 11.Nov.97 -90550. -91500. -32.1 -0.5718 -9.1742 9.3462 -2.3996 17.0245 -4.2160 1.5475 2. BeOH+ BeOH(+) BeOH+ Be(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -139900. -153200. -17.9 2.3302 -2.0945 6.5792 -2.6923 30.9714 2.9542 0.8222 -2. BeO,aq BeO(0) BeO(AQ) Be(1)O(1)+(0) ref:G9 13.Nov.97 -128600. -144100. -25.1 1.8917 -3.1609 6.9887 -2.6482 13.5675 -0.3660 -0.0300 0. HBeO2- HBeO2(-) HBeO2- H(1)Be(1)O(2)-(1) ref:G9 13.Nov.97 -172200. -206700. -33.3 2.9518 -0.5719 5.9708 -2.7553 56.2537 7.5374 2.1351 -1. BeO2-2 BeO2(-2) BeO2-2 Be(1)O(2)-(2) ref:G9 13.Nov.97 -152900. -189700. -41.0 3.2657 0.1906 5.6788 -2.7868 34.0366 -5.6215 3.8330 -2. Br- Br(-) Br- Br(1)-(1) ref:G9 07.Nov.97 -24870. -29040. 19.80 5.2690 6.5940 4.7450 -3.143 -3.80 -6.811 1.3858 -1. Br3- Br3(-) Br3- Br(3)-(1) ref:2 12.Jul.87 -25590. -31170. 51.500 9.0992 14.4364 0.0759 -3.3758 17.2705 -1.8939 0.8490 -1. HBrO,aq HBrO(0) HBrO(AQ) H(1)Br(1)O(1)+(0) ref:G9 13.Nov.97 -19700. -27000. 33.8 5.5795 5.8410 3.4565 -3.0204 9.8576 -1.2012 -0.1719 0. BrO- BrO(-) BrO- Br(1)O(1)-(1) ref:G9 13.Nov.97 -8000. -22500. 9.7 2.3206 -2.1131 6.5758 -2.6915 3.4104 -8.7381 1.4820 -1. BrO3- BrO3(-) BrO3- Br(1)O(3)-(1) ref:G9 07.Nov.97 4450. -16030. 38.65 6.9617 9.2173 2.1272 -3.1600 3.7059 -7.2308 1.0433 -1. BrO4- BrO4(-) BrO4- Br(1)O(4)-(1) ref:G9 13.Nov.97 28200. 3100. 47.6 8.7361 13.5515 0.4200 -3.3391 11.4884 -4.0937 0.9085 -1. CaOH+ CaOH+ CaOH+ Ca(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -171300. -179600. 6.7 2.7243 -1.1303 6.1958 -2.7322 11.1286 -2.7493 0.4496 1. Ce+4 Ce+4 Ce+4 Ce+4 ref:G9 13.Nov.97 -121300. -137700. -100.1 -4.2792 -18.2247 12.8996 -2.0255 40.2790 -3.0141 3.6964 4. HCN,AQ HCN HCN H(1)C(1)N(1)+(0) ref:G5 4.JUN.93 28600. 25600. 29.8 8.0083 11.7705 1.1286 -3.2655 28.9941 5.2560 -0.1113 0. CN- CN- CN- C(1)N(1)-(1) ref:G9 11.Nov.97 41200. 36000. 22.5 5.4714 5.5813 3.5497 -3.0096 7.6773 -6.6400 1.2900 -1. CO,aq CO(aq) CO,aq C(1)O(1)+(0) ref:G5 17.Jun.92 -28682. -28910. 24.53 6.2373 7.4498 2.8184 -3.0869 40.2522 10.0022 -0.3715 0. CO2,aq CO2(0) CO2(aq) C(1)O(2)+(0) ref:3 26.jun.87 -92250. -98900. 28.100 6.2466 7.4711 2.8136 -3.0879 40.0325 8.8004 -0.0200 0. CO3-2 CO3(-2) CO3-2 C(1)O(3)-(2) ref:G9 06.Nov.97 -126191. -161385. -11.95 2.8524 -3.9844 6.4142 -2.6143 -3.3206 -17.1917 3.3914 -2. Ca(CO3),aq Ca(CO3)(0) Ca(CO3)(aq) Ca(1)C(1)O(3)+(0) ref:5 JAN.91 -262850. -287390. 2.500 -0.2100 -8.295 9.010 -2.436 -11.783 -9.152 -0.038 0. Ca(HCO3)+ Ca(HCO3)(+) Ca(HCO3)+ Ca(1)H(1)C(1)O(3)+(1) ref:G7A JAN.91 -273830. -294350. 16.000 3.706 1.267 5.252 -2.831 41.722 8.336 0.308 1. Ca+2 Ca(+2) Ca+2 Ca(1)+(2) ref:G9 06.Nov.97 -132120. -129800. -13.50 -0.1947 -7.2520 5.2966 -2.4792 9.00 -2.522 1.2366 2. CaCl+ CaCl(+) CaCl+ Ca(1)Cl(1)+(1) ref:5 2.Oct.97 -163100. -168607. 4.5 2.7148 -1.1497 6.1949 -2.7314 20.8839 0.5241 0.4862 1. CaCl2,aq CaCl2(0) CaCl2(aq) Ca(1)Cl(2)+(0) ref:5 2.Oct.97 -194000. -211060. 6. 6.2187 7.4058 2.8322 -3.0851 23.961 3.272 -0.038 0. CaF+ CaF(+) CaF+ Ca(1)F(1)+(1) ref:5 18.Sep.97 -200390. -208600. -9. 0.1568 -7.3958 8.6499 -2.4732 30.1743 3.0968 0.6911 1. CaSO4,aq CaSO4(0) CaSO4(aq) Ca(1)S(1)O(4)+(0) ref:5 18.Sep.97 -312930. -345900. 5. 2.4079 -1.8992 6.4895 -2.7004 -8.4942 -8.1271 -0.001 0. Cd+2 Cd(+2) Cd+2 Cd(1)+(2) ref:G9 07.Nov.97 -18560. -18140. -17.4 0.0537 -10.7080 16.5176 -2.3363 15.6573 -3.7476 1.2528 2. CdOH+ CdOH(+1) CdOH+ Cd(1)O(1)H(1)+(1) ref:G9 14.Nov.97 -61500. -73400. -2.9 0.1473 -7.4141 8.6471 -2.4724 18.8886 -0.5290 0.5985 1. CdO,aq CdO(0) CdO(AQ) Cd(1)O(1)+(0) ref:G9 14.Nov.97 -47500. -59750. -4.2 -0.1471 -8.1341 8.9312 -2.4426 -0.3806 -5.2141 -0.0300 0. HCdO2- HCdO2(-1) HCdO2- H(1)Cd(1)O(2)-(1) ref:G9 14.Nov.97 -86500. -117400. -10.9 0.9080 -5.5570 7.9176 -2.5492 23.2446 -2.8512 1.7965 -1. CdO2-2 CdO2(-2) CdO2-2 Cd(1)O(2)-(2) ref:G9 14.Nov.97 -67300. -101000. -20.3 0.7922 -5.8401 8.0303 -2.5375 3.4810 -15.2361 3.5190 -2. Ce+2 Ce(+2) Ce+2 Ce(1)+(2) ref:G9 13.Nov.97 -74900. -70300. 1.4 0.1315 -7.4538 8.6653 -2.4708 8.5755 -5.5196 1.0376 2. Ce+3 Ce(+3) Ce+3 Ce(1)+(3) ref:G9 13.Nov.97 -161600. -167400. -49. -3.4833 -16.2789 12.1302 -2.1059 -0.3550 -12.7510 2.3265 3. Cl- Cl(-) Cl- Cl(1)-(1) ref:G9 07.Nov.97 -31379. -39933. 13.56 4.0320 4.8010 5.5630 -2.847 -4.40 -5.714 1.4560 -1. HClO,aq HClO(0) HClO(AQ) H(1)Cl(1)O(1)+(0) ref:G9 13.Nov.97 -19100. -28900. 33.9 5.5927 5.8751 3.4387 -3.0218 9.9023 -1.1808 -0.1734 0. ClO- ClO(-) ClO- Cl(1)O(1)-(1) ref:G9 13.Nov.97 -8800. -25600. 10. 2.3599 -2.0164 6.5356 -2.6955 3.4787 -8.6974 1.4767 -1. ClO2- ClO2(-) ClO2- Cl(1)O(2)-(1) ref:G9 13.Nov.97 4100. -15900. 24.2 5.2163 4.9580 3.7949 -2.9839 6.4977 -6.9659 1.2637 -1. ClO3- ClO3(-) ClO3- Cl(1)O(3)-(1) ref:G9 07.Nov.97 -1900. -24850. 38.8 7.1665 9.7172 1.9307 -3.1807 8.5561 -5.5401 1.0418 -1. ClO4- ClO4(-) ClO4- Cl(1)O(4)-(1) ref:G9 07.Nov.97 -2040. -30910. 43.5 8.1411 15.5654 -7.8077 -3.4224 16.45 -6.57 0.9699 -1. Co+2 Co(+2) Co+2 Co(1)+(2) ref:G9 07.Nov.97 -13000. -13900. -27.0 -1.2252 -8.9356 5.3191 -2.4095 15.2013 -4.6234 1.4769 2. Co+3 Co(+3) Co+3 Co(1)+(3) ref:G9 13.Nov.97 32000. 22000. -73. -2.8678 -14.7777 11.5439 -2.1680 16.4739 -8.0659 2.6901 3. CoOH+ CoOH(+1) CoOH+ Co(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -56025. -68450. -10. -0.2561 -8.4039 9.0457 -2.4315 26.6839 1.8542 0.7003 1. CoO,aq CoO(+0) CoO(AQ) Co(1)O(1)+(0) ref:G9 13.Nov.97 -44000. -58800. -17.8 -1.5566 -11.5736 10.2791 -2.3004 8.7031 -2.0567 -0.0300 0. HCoO2- HCoO2(-1) HCoO2- H(1)Co(1)O(2)-(1) ref:G9 13.Nov.97 -83400. -117100. -25.5 -0.0971 -8.0155 8.8926 -2.4475 44.7712 3.9116 2.0211 -1. CoO2-2 CoO2(-2) CoO2-2 Co(1)O(2)-(2) ref:G9 13.Nov.97 -63200. -99000. -32.7 -0.0590 -7.9219 8.8540 -2.4514 21.8518 -9.4714 3.7128 -2. CoOH+2 CoOH(+2) CoOH+2 Co(1)O(1)H(1)+(2) ref:G9 13.Nov.97 -23000. -36100. -27.8 -1.0884 -10.4353 9.8425 -2.3475 16.5492 -4.1549 1.4769 2. o-CRESOL,AQ C6H4OHCH3 o-CRESOL(aq) C(7)H(8)O(1)+(0) ref:G10 22.Feb.96 -12725. -45081. 50.4 15.4181 28.2184 -1.8079 -3.9454 89.9089 5.1956 -0.2532 0. m-CRESOL,AQ C6H4OHCH3 m-CRESOL(aq) C(7)H(8)O(1)+(0) ref:G10 22.Feb.96 -13890. -45560. 52.7 15.4233 28.2298 -1.8101 -3.9459 88.8505 5.0474 -0.2380 0. p-CRESOL,AQ C6H4OHCH3 p-CRESOL(aq) C(7)H(8)O(1)+(0) ref:G10 22.Feb.96 -11625. -44245. 49.5 15.4161 28.2174 -1.8159 -3.9454 81.0624 4.1088 -0.2592 0. Cr2O7-2 Cr2O7(-2) Cr2O7-2 Cr(2)O(7)-(2) ref:G9 07.Nov.97 -312970. -355370. 72. 12.4303 22.5680 -3.1161 -3.7119 8.6580 -8.9622 2.1216 -2 CrO4-2 CrO4(-2) CrO4-2 Cr(1)O(4)-(2) ref:G9 07.Nov.97 -174800. -210930. 13.8 5.4891 5.6223 3.5382 -3.0113 -2.8608 -15.7861 3.0024 -2. Cs+ Cs(+) Cs+ Cs(1)+(1) ref:G9 06.Nov.97 -69710. -61670. 31.75 6.1475 -0.1309 4.2094 -2.7736 6.27 -5.736 0.0974 1. CsBr,aq CsBr(0) CsBr(aq) Cs(1)Br(1)+(0) ref:5 18.Sep.97 -94610. -88490. 57.3 9.5646 15.5757 -0.3789 -3.4228 -9.4143 -8.4469 -0.001 0. CsCl,aq CsCl(0) CsCl(aq) Cs(1)Cl(1)+(0) ref:5 18.Sep.97 -100900. -100950. 52.58 8.401 12.7344 0.7379 -3.3054 -6.0563 -7.9234 0.2 0. CsI,aq CsI(0) CsI(aq) Cs(1)I(1)+(0) ref:5 18.Sep.97 -83460. -77820. 60.3 11.6513 20.6709 -2.3815 -3.6335 -7.212 -8.0048 0.1 0. CsOH,aq CsOH(0) CsOH(aq) Cs(1)O(1)H(1)+(0) ref:G9 13.Nov.97 -105000. -112300. 35.9 5.6685 6.0571 3.3740 -3.0293 -12.8052 -9.5325 -0.0300 0. Cu+ Cu(+) Cu+ Cu(1)+(1) ref:G9 13.Nov.97 11950. 17132. 9.7 0.8070 -5.8040 8.0165 -2.5390 17.9233 -0.2438 0.4046 1. Cu+2 Cu(+2) Cu+2 Cu(1)+(2) ref:G9 07.Nov.97 15675. 15700. -23.2 -1.1021 -10.4726 9.8662 -2.3461 20.3 -4.39 1.4769 2. CuOH+ CuOH(+1) CuOH+ Cu(1)O(1)H(1)+(1) ref:G9 13.Nov.97 -30200. -41700. -6.1 -0.0277 -7.8416 8.8142 -2.4547 21.5062 0.2246 0.6472 1. CuO,aq CuO(0) CuO(AQ) Cu(1)O(1)+(0) ref:G9 13.Nov.97 -20800. -34200. -12.4 -0.3937 -8.7360 9.1675 -2.4178 12.1490 -3.3197 0.7384 0. HCuO2- HCuO2(-1) HCuO2- H(1)Cu(1)O(2)-(1) ref:G9 13.Nov.97 -60100. -86300. 0.3 1.3202 -4.5527 7.5282 -2.5907 -3.2749 -8.0659 0.5464 -1. CuO2-2 CuO2(-2) CuO2-2 Cu(1)O(2)-(2) ref:G9 13.Nov.97 -41200. -74400. -23.1 0.6024 -6.3038 8.2129 -2.5183 7.6532 -13.9325 3.5647 -2. DECANOATE,AQ C10H19O2- N-DEC8- C(10)H(19)O(2)-(1) REF:G6 28.FEB.92 -72460. -162700. 72.100 24.5511 48.6514 -5.8334 -4.7901 181.6400 -1.8100 0.5372 -1. DECANOIC-ACID,AQ C10H20O2 DEAC C(10)H(20)O(2)+(0) REF:G6 28.FEB.92 -79170. -162200. 96.300 26.2766 52.8294 -7.4002 -4.9629 178.2298 15.7672 0.0510 0. DIKETOPIPERAZINE,AQ C4H6N2O2 DIKETO C(4)H(6)N(2)O(2)+(0) REF:G1 28.FEB.92 -57440. -99300. 53.500 12.1058 16.0764 11.6608 -3.4435 19.5904 -3.4064 -0.4702 0. 2-3DMP,AQ C6H3OHCH3CH3 2-3DMP(aq) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -11005. -53849. 47.8 17.3144 32.5179 -2.7887 -4.1232 105.9743 7.2013 -0.2705 0.0000 2,4-DMP,AQ C6H3OHCH3CH3 2,4-DMP(aq) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -13081. -52675. 58.7 17.3388 32.5725 -2.7994 -4.1254 102.4043 6.6776 -0.1982 0. 2-5DMP,AQ C6H3OHCH3CH3 2-5DMP(aq) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -11875. -54420. 48.8 17.3166 32.5246 -2.7936 -4.1235 110.8307 7.7941 -0.2639 0.0000 2-6DMP,AQ C6H3OHCH3CH3 2-6DMP(aq) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -10973. -52445. 52.4 17.3247 32.5408 -2.7930 -4.1241 102.8187 6.7764 -0.2400 0.0000 3-4DMP,AQ C6H3OHCH3CH3 3-4DMP(aq) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -12264. -54422. 50.1 17.3196 32.5292 -2.7906 -4.1237 97.9627 6.1935 -0.2552 0.0000 3-5DMP,AQ C6H3OHCH3CH3 3-5DMP(aq) C(8)H(10)O(1)+(0) ref:G10 20.Nov.97 -12459. -54945. 49.0 17.3171 32.5233 -2.7885 -4.1234 104.6091 7.0234 -0.2625 0.0000 DODECANOATE,AQ C12H23O2- N-DO8- C(12)H(23)O(2)-(1) REF:G6A 2.Jun.98 -68370. 174040. 85.500 28.7122 58.3495 -8.6541 -5.1911 217.0287 -1.5510 0.3340 -1. DODECANOIC-ACID,AQ C12H24O2 DOAC C(12)H(24)O(2)+(0) REF:G6 28.FEB.92 -75080. -173540. 109.700 30.6308 62.6966 -9.6387 -5.3708 212.9354 19.9564 0.1399 0. Dy+2 Dy(+2) Dy+2 Dy(1)+(2) ref:G9 13.Nov.97 -102800. -99900. -3.6 0.0206 -7.7248 8.7724 -2.4596 9.8690 -5.3159 1.1144 2. Dy+3 Dy(+3) Dy+3 Dy(1)+(3) ref:G9 07.Nov.97 -158700. -166500. -55.2 -3.0003 -15.1074 11.6879 -2.1545 9.5076 -9.4919 2.3792 3. Dy+4 Dy(+4) Dy+4 Dy(1)+(4) ref:G9 13.Nov.97 -55700. -73400. -104.0 -4.3164 -18.3144 12.9330 -2.0218 40.0550 -3.2586 3.7484 4. ETHANAMINE,AQ C2H5NH2 ETAM(aq) C(2)H(7)N(1)+(0) ref:4 1.OCT.87 6300. -23830. 33.600 9.7281 11.3257 11.2651 -3.2471 55.6799 -0.2142 -0.1688 0. ETHANE,AQ C2H6 ETH(aq) C(2)H(6)+(0) ref:4 31.Aug.87 -3886. -24710. 26.590 8.7500 13.1051 1.6258 -3.3207 73.8072 2.2242 -0.0627 0. ETHANOL,AQ C2H5OH ETOL(aq) C(2)H(6)O(1)+(0) ref:4 2.Sep.87 -43330. -68650. 35.900 9.2333 9.9581 12.1445 -3.1906 60.0175 0.1507 -0.2037 0. ETHYLACETATE,AQ CH3COOCH2CH3 ETHACE(aq) C(4)H(8)O(2)+(0) ref:G2 18.Mar.93 -79300. -116840. 53.400 1.38375 24.6396 -1.0033 -3.7975 83.6983 4.4052 -0.2334 0. ETHYLBENZENE,AQ C6H5C2H5 ETBN(aq) C(8)H(10)+(0) ref:4 4.Sep.87 32440. -2500. 49.800 17.5572 33.0675 -2.9124 -4.1459 102.5478 6.6974 -0.2 0. ETHYLENE,AQ C2H4 ETHLE(aq) C(2)H(4)+(0) ref:4 4.Sep.87 19450. 8570. 28.700 7.8560 12.6391 -1.8737 -3.3014 39.1000 9.7000 -0.4000 0. ETHYNE,AQ C2H2 ETHY(aq) C(2)H(2)+(0) ref:4 31.Aug.87 51890. 50700. 30.000 8.3577 12.6272 0.7833 -3.3009 33.0423 7.7615 -0.4543 0. Er+2 Er(+3) Er+2 Er(1)+(3) ref:G9 13.Nov.97 -91600. -89150. -5.5 -0.0104 -7.7996 8.7981 -2.4565 10.3150 -5.2548 1.1437 2. Er+3 Er(+3) Er+3 Er(1)+(3) ref:G9 07.Nov.97 -159900. -168500. -58.3 -3.3041 -15.8492 11.9794 -2.1238 8.2815 -10.0215 2.4115 3. Er+4 Er(+4) Er+4 Er(1)+(4) ref:G9 13.Nov.97 -28100. -45900. -104.7 -4.3256 -18.3402 12.9496 -2.0207 40.0003 -3.3197 3.7615 4. Eu+2 Eu(+2) Eu+2 Eu(1)+(2) ref:G9 13.Nov.97 -129200. -126150. -2.4 0.0407 -7.6776 8.7578 -2.4615 9.5539 -5.3567 1.0929 2. Eu+3 Eu(+3) Eu+3 Eu(1)+(3) ref:G9 07.Nov.97 -137300. -144700. -53.0 -3.1037 -15.3599 11.7871 -2.1440 6.0548 -10.4900 2.3161 3. Eu+4 Eu(+4) Eu+4 Eu(1)+(4) ref:G9 13.Nov.97 5000. -12700. -103.3 -4.3071 -18.2951 12.9322 -2.0226 40.0515 -3.2178 3.7353 4. F- F(-) F- F(1)-(1) ref:G9 07.Nov.97 -67340. -80150. -3.15 0.6870 1.3588 7.6033 -2.8352 4.46 -7.488 1.7870 -1. FORMATE,AQ HCO2- FOR- H(1)C(1)O(2)-(1) REF:G6 28.FEB.92 -83862. -101680. 21.700 5.7842 4.7242 7.3630 -2.9742 17.0000 -12.4000 1.3003 -1. FORMIC-ACID,AQ H2CO2 FOAC(aq) C(1)H(2)O(2)+(0) REF:G6 17.JUN.92 -88982. -101680. 38.900 6.3957 7.7713 2.8318 -3.1002 26.1000 -3.1000 -0.3300 0. Fe+2 Fe(+2) Fe+2 Fe(1)+(2) ref:2,13,14,G9 13.Nov.97 -21870. -22050. -25.3 -0.7867 -9.6969 9.5479 -2.3780 14.7860 -4.6437 1.4382 2. Fe+3 Fe(+3) Fe+3 Fe(1)+(3) ref:2,14,G9 13.Nov.97 -4120. -11850. -66.3 -2.4256 -13.6961 11.1141 -2.2127 19.0459 -6.8233 2.5812 3. FeCl+ FeCl(+) FeCl+ Fe(1)Cl(1)+(1) ref:5 18.Sep.97 -53030. -61260. -10.06 2.1468 -2.5367 6.7401 -2.6741 24.6912 1.1617 0.7003 1