{ "ANCILLARIES": { "hL": { "A": [ -246119.46072729214, -259.5824525367737, 7.7466602220457625, -0.03374381260781217, 8.34837843851262e-05, -1.2471898607314322e-07, 1.0254734748781992e-10, -3.584750583698682e-14 ], "B": [ 1, -0.0016948381444915777 ], "Tmax": 586.4, "Tmin": 290.25, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 859.2049677024115, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ -123675.20507706807, 3672.274774264113, -30.224744777396552, 0.12774387302911544, -0.0003160808006608067, 4.6266251762349287e-07, -3.724733161434862e-10, 1.2766815097982976e-13 ], "B": [ 1, -0.0016900983284927514 ], "Tmax": 586.4, "Tmin": 290.25, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 1564.3618616496883, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 586.5, "Tmax": 586.499, "Tmin": 290.25, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.010942245797573857, "n": [ 0.5345899746797975, 4.012049466701194, -1.0289244610594683, -5.674842858271821, -6.250797710936648, -8.407869194998023 ], "reducing_value": 1347215.3560904593, "t": [ 0.064, 0.367, 0.10600000000000001, 0.5, 1.1666666666666667, 3.6666666666666665 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 586.5, "Tmax": 586.499, "Tmin": 290.25, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.002016002796678684, "n": [ 1699.0113849179957, -5407.311884597516, 3713.384933876656, -140.88050502633448, 138.43012562471498, 0.5512142245482865 ], "reducing_value": 1043.0, "t": [ 0.089, 0.093, 0.095, 0.3575, 0.364, 2.1666666666666665 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 586.5, "Tmax": 586.499, "Tmin": 290.25, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.02909502176566825, "n": [ 0.24842573546167623, -0.29764756387215136, -3.1891436123359056, -3.7005796634658807, 0.3110259942331251, -10.126305860017903 ], "reducing_value": 1043.0, "t": [ 0.060000000000000005, 0.079, 0.39849999999999997, 1.0, 1.6666666666666667, 3.5 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -1101.3580280874742, 5.2701691381899, -0.01034409006682623, 6.508498985079078e-06, 2.3338668092890836e-08, -7.099174606219544e-11, 7.85860536033957e-14, -3.2603869504603975e-17 ], "B": [ 1, -0.0016949427570215022 ], "Tmax": 586.4, "Tmin": 290.25, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 1.460481733840588, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 1324.7254739088855, -10.899430420888171, 0.0376176101465594, -5.5603735452184006e-05, -1.5149150452865418e-08, 1.7090250295500776e-10, -2.2266260282317656e-13, 9.806408211682e-17 ], "B": [ 1, -0.0016901403551378739 ], "Tmax": 586.4, "Tmin": 290.25, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 2.6678225424245605, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2014", "Tc": 586.5, "a": [ 0.04246 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.207 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Thol-THESIS-2015", "STATES": { "hs_anchor": { "T": 645.1500000000001, "T_units": "K", "hmolar": 134835.18893530086, "hmolar_units": "J/mol", "p": 2438462.224194132, "p_units": "Pa", "rhomolar": 938.7, "rhomolar_units": "mol/m^3", "smolar": 244.54852904230444, "smolar_units": "J/mol/K" }, "reducing": { "T": 586.5, "T_units": "K", "hmolar": 96114.01869842727, "hmolar_units": "J/mol", "p": 1347215.3560904593, "p_units": "Pa", "rhomolar": 1043, "rhomolar_units": "mol/m^3", "smolar": 183.42688650914963, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 290.25, "T_units": "K", "hmolar": -85385.52207776852, "hmolar_units": "J/mol", "p": 73.06609963813099, "p_units": "Pa", "rhomolar": 3235.579181327206, "rhomolar_units": "mol/m^3", "smolar": -233.01079773419227, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 290.25, "T_units": "K", "hmolar": -29470.25393344716, "hmolar_units": "J/mol", "p": 73.06609963813099, "p_units": "Pa", "rhomolar": 0.03028424286845063, "rhomolar_units": "mol/m^3", "smolar": -40.36560171585889, "smolar_units": "J/mol/K" } }, "T_max": 1200, "T_max_units": "K", "Ttriple": 290.25, "Ttriple_units": "K", "acentric": 0.5981248267987835, "acentric_units": "-", "alpha0": [ { "_note": "a1 and a2 calculated by IB. Values in Thol thesis incorrect", "a1": 71.1636049792958, "a2": -21.6743650975623, "type": "IdealGasHelmholtzLead" }, { "a": 3, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 0.292757, 38.2456, 58.975 ], "t": [ 0.06820119352088662, 0.3410059676044331, 3.0690537084398977 ], "type": "IdealGasHelmholtzPlanckEinstein" } ], "alphar": [ { "d": [ 4, 1, 1, 2, 3, 1, 3, 2, 2, 7 ], "l": [ 0, 0, 0, 0, 0, 2, 2, 1, 2, 1 ], "n": [ 0.05273743, 4.176401, -4.73707, -1.289588, 0.5272749, -2.558391, -0.9726737, 0.7208209, -0.4789456, -0.05563239 ], "t": [ 1.0, 0.27, 0.51, 0.998, 0.56, 1.75, 3.09, 0.79, 2.71, 0.998 ], "type": "ResidualHelmholtzPower" }, { "beta": [ 0.75, 0.55, 1, 0.47, 1.36 ], "d": [ 1, 1, 3, 2, 2 ], "epsilon": [ 0.926, 1.3, 1.114, 0.996, 0.483 ], "eta": [ 0.861, 1.114, 1.01, 1.11, 1.032 ], "gamma": [ 1.124, 1.388, 1.148, 1.197, 0.817 ], "n": [ 3.766589, 0.08786997, -0.1267646, -1.004246, -1.641887 ], "t": [ 0.93, 3.17, 1.08, 1.41, 0.89 ], "type": "ResidualHelmholtzGaussian" } ], "gas_constant": 8.3144621, "gas_constant_units": "J/mol/K", "molar_mass": 0.29661576, "molar_mass_units": "kg/mol", "p_max": 180000000.0, "p_max_units": "Pa", "pseudo_pure": false }, { "BibTeX_CP0": "", "BibTeX_EOS": "Colonna-FPE-2006", "STATES": { "hs_anchor": { "T": 645.1403990570001, "T_units": "K", "hmolar": 125575.49724587749, "hmolar_units": "J/mol", "p": 2353169.494223387, "p_units": "Pa", "rhomolar": 931.6100790000011, "rhomolar_units": "mol/m^3", "smolar": 227.67734367915278, "smolar_units": "J/mol/K" }, "reducing": { "T": 586.49127187, "T_units": "K", "hmolar": 89345.78916363802, "hmolar_units": "J/mol", "p": 1332000, "p_units": "Pa", "rhomolar": 1035.122310000001, "rhomolar_units": "mol/m^3", "smolar": 170.5022172629333, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 290.25, "T_units": "K", "hmolar": -77643.64716249761, "hmolar_units": "J/mol", "p": 69.6092376840441, "p_units": "Pa", "rhomolar": 3200.4450981169975, "rhomolar_units": "mol/m^3", "smolar": -211.68352057551905, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 290.25, "T_units": "K", "hmolar": -21203.0468911916, "hmolar_units": "J/mol", "p": 69.60923775666659, "p_units": "Pa", "rhomolar": 0.028853717881124525, "rhomolar_units": "mol/m^3", "smolar": -17.228394758947186, "smolar_units": "J/mol/K" } }, "T_max": 673, "T_max_units": "K", "Ttriple": 290.25, "Ttriple_units": "K", "acentric": 0.592, "acentric_units": "-", "alpha0": [ { "a1": 29.18574340067077, "a2": -14.02099419676275, "type": "IdealGasHelmholtzLead" }, { "a": -1, "type": "IdealGasHelmholtzLogTau" }, { "T0": 448.503917912145, "Tc": 586.49127187, "cp_over_R": -2.19568963609475, "type": "IdealGasHelmholtzCP0Constant" }, { "T0": 448.503917912145, "Tc": 586.49127187, "c": [ 0.171652511428266, -0.000119093551580906, 3.60816657991031e-08 ], "t": [ 1, 2, 3 ], "type": "IdealGasHelmholtzCP0PolyT" }, { "a1": -36.9617168387456, "a2": 22.2512527290327, "reference": "NBP", "type": "IdealGasHelmholtzEnthalpyEntropyOffset" } ], "alphar": [ { "d": [ 1, 1, 1, 2, 3, 7, 2, 5, 1, 4, 3, 4 ], "l": [ 0, 0, 0, 0, 0, 0, 1, 1, 2, 2, 3, 3 ], "n": [ 1.05392408, -2.22981918, 0.77573923, -0.6937405, 0.18721557, 0.0004219333, 0.70301835, 0.047851888, -0.8025348, -0.18968872, -0.022211781, 0.0060103354 ], "t": [ 0.25, 1.125, 1.5, 1.375, 0.25, 0.875, 0.625, 1.75, 3.625, 3.625, 14.5, 12 ], "type": "ResidualHelmholtzPower" } ], "critical_region_splines": { "T_max": 586.5, "T_min": 585.8223731516954, "_note": "Coefficients for the critical cubic spline. T = c[0]*rho^3 + c[1]*rho^2 + c[2]*rho + c[3] with rho in mol/m^3 and T in K", "cL": [ 0.0, -7.862666279638519e-06, 0.016211685644670307, 578.1434596708557 ], "cV": [ 6.746394257626074e-08, -0.00021062780266197875, 0.2191796259421155, 510.4803477882244 ], "rhomolar_max": 1324.4971267138706, "rhomolar_min": 824.503552249034 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.29661576, "molar_mass_units": "kg/mol", "p_max": 30000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=10696", "ALIASES": [ "Octamethylcyclotetrasiloxane", "OCTAMETHYLCYCLOTETRASILOXANE" ], "CAS": "556-67-2", "CHEMSPIDER_ID": 10696, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": -1, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": -1, "Name": "D4", "ODP": -1.0, "PH": -1 }, "FORMULA": "C_{8}H_{24}O_{4}Si_{4}", "INCHI_KEY": "HMMGMWAXVFQUOA-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3", "NAME": "D4", "REFPROP_NAME": "D4", "SMILES": "C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C" }, "STATES": { "critical": { "T": 586.5, "T_units": "K", "hmolar": 96114.01869842727, "hmolar_units": "J/mol", "p": 1347215.3560904593, "p_units": "Pa", "rhomolar": 1043.0, "rhomolar_units": "mol/m^3", "smolar": 183.42688650914963, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 290.25, "T_units": "K", "hmolar": -85385.52207776852, "hmolar_units": "J/mol", "p": 73.06609963813099, "p_units": "Pa", "rhomolar": 3235.579181327206, "rhomolar_units": "mol/m^3", "smolar": -233.01079773419227, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 290.25, "T_units": "K", "hmolar": -29470.25393344716, "hmolar_units": "J/mol", "p": 73.06609963813099, "p_units": "Pa", "rhomolar": 0.03028424286845063, "rhomolar_units": "mol/m^3", "smolar": -40.36560171585889, "smolar_units": "J/mol/K" } } }