{ "ANCILLARIES": { "hL": { "A": [ -601118.0622856164, 2047.3806501083193, -4.171097254627481, 0.008979181708586496, -1.040303792601429e-05, -4.336515081912337e-10, 1.0295337179667876e-11, -6.169890222281292e-15 ], "B": [ 1, -0.0015370223743739505 ], "Tmax": 645.68, "Tmin": 270.2, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 893.4528800379776, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 67807.3085501279, 683.2913185205882, -8.31342373818873, 0.037633639635577525, -9.474029872691474e-05, 1.388595592732337e-07, -1.1125477490478019e-10, 3.785965477140387e-14 ], "B": [ 1, -0.001534273400878326 ], "Tmax": 645.68, "Tmin": 270.2, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 1973.5146584270888, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 645.78, "Tmax": 645.7799999999984, "Tmin": 270.2, "description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.030659882111727654, "n": [ 0.0009840543696606977, -41.57124463279652, 33.17839559625214, -221.16595834771732, 368.2016194959781, -159.62000149415917 ], "reducing_value": 961000.0, "t": [ 0.023, 1.048, 1.073, 4.527, 4.823, 5.211 ], "type": "pL", "using_tau_r": true }, "rhoL": { "T_r": 645.78, "Tmax": 645.7799999999984, "Tmin": 270.2, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 2.211610708692202, "n": [ 41.50050216018366, -198.81152403352948, 161.74986511225353, -2.8794147964708507, 15327.689037983815, -19023.670087608214 ], "reducing_value": 627.2885477999996, "t": [ 0.59, 0.719, 0.755, 3.132, 14.519, 14.971 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 645.78, "Tmax": 645.7799999999984, "Tmin": 270.2, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 2.8375465327178273, "n": [ -15.776270974992267, 13.699167960267655, -7.138110844583917, -2782.2625154428233, 5504.275783042545, -5468.11384054501 ], "reducing_value": 627.2885477999996, "t": [ 0.522, 0.588, 1.175, 9.309, 10.264, 13.23 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -2322.914784103427, 15.773848123100668, -0.06446949447294693, 0.00018493296878137815, -3.4357457850281526e-07, 3.876363241873244e-10, -2.4235390259861773e-13, 6.429824731774415e-17 ], "B": [ 1, -0.001533898588121577 ], "Tmax": 645.68, "Tmin": 270.2, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 1.5563542944057787, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 2023.1572529057282, -19.74019344824297, 0.09259432160813948, -0.0002578073006056815, 4.445163249824075e-07, -4.648185633585544e-10, 2.6869102130150274e-13, -6.514941916363381e-17 ], "B": [ 1, -0.0015321182824986827 ], "Tmax": 645.68, "Tmin": 270.2, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 3.2728844204383636, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2014", "Tc": 645.78, "a": [ 0.05105 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.594 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Colonna-FPE-2008", "STATES": { "hs_anchor": { "T": 710.3580000000001, "T_units": "K", "hmolar": 194998.30924696967, "hmolar_units": "J/mol", "p": 1774539.402129443, "p_units": "Pa", "rhomolar": 564.5596930199997, "rhomolar_units": "mol/m^3", "smolar": 315.70047950847186, "smolar_units": "J/mol/K" }, "reducing": { "T": 645.78, "T_units": "K", "hmolar": 132374.0511870456, "hmolar_units": "J/mol", "p": 961000, "p_units": "Pa", "rhomolar": 627.2885477999996, "rhomolar_units": "mol/m^3", "smolar": 225.30398120909385, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 270.2, "T_units": "K", "hmolar": -194995.19760596415, "hmolar_units": "J/mol", "p": 0.1597529988242164, "p_units": "Pa", "rhomolar": 2245.0762899076435, "rhomolar_units": "mol/m^3", "smolar": -504.1815274669054, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 270.2, "T_units": "K", "hmolar": -120568.4735005771, "hmolar_units": "J/mol", "p": 0.15975309946541058, "p_units": "Pa", "rhomolar": 7.110984697426037e-05, "rhomolar_units": "mol/m^3", "smolar": -228.73103433656973, "smolar_units": "J/mol/K" } }, "T_max": 673, "T_max_units": "K", "Ttriple": 270.2, "Ttriple_units": "K", "acentric": 0.736, "acentric_units": "-", "alpha0": [ { "a1": -7.938561730464921, "a2": 8.452340963237452, "type": "IdealGasHelmholtzLead" }, { "a": -1, "type": "IdealGasHelmholtzLogTau" }, { "T0": 518.109977174843, "Tc": 645.78, "c": [ 56.37158920013201, 118.0111016069331, 1792.1, 82.5909330141469, 786.8 ], "type": "IdealGasHelmholtzCP0AlyLee" }, { "a1": 16.2776881308826, "a2": -9.86112982952628, "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": [ 1.69156186, -3.37962568, 0.38609039, 0.064598995, 0.10589012, 4.5456825e-05, 0.74169279, -0.088102648, -0.17373336, -0.10951368, -0.062695695, 0.037459986 ], "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": 645.78, "T_min": 645.5612757191427, "_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": [ -1.198196800754583e-07, 0.00020830049432842273, -0.11988515995442227, 668.5936073909794 ], "cV": [ 1.7569888176414546e-07, -0.00035430081210555803, 0.23708993877492088, 593.1021821692563 ], "rhomolar_max": 715.9728372726955, "rhomolar_min": 550.5496590706158 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.444924, "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=10449", "ALIASES": [ "Dodecamethylcyclohexasiloxane", "DODECAMETHYLCYCLOHEXASILOXANE" ], "CAS": "540-97-6", "CHEMSPIDER_ID": 10449, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": -1, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": -1, "Name": "D6", "ODP": -1.0, "PH": -1 }, "FORMULA": "C_{12}H_{36}O_{6}Si_{6}", "INCHI_KEY": "IUMSDRXLFWAGNT-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3", "NAME": "D6", "REFPROP_NAME": "D6", "SMILES": "C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C" }, "STATES": { "critical": { "T": 645.78, "T_units": "K", "hmolar": 132314.90333618096, "hmolar_units": "J/mol", "p": 961000.0, "p_units": "Pa", "rhomolar": 627.2885477999996, "rhomolar_units": "mol/m^3", "smolar": 225.21470572882234, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 270.2, "T_units": "K", "hmolar": -194995.19760596415, "hmolar_units": "J/mol", "p": 0.1597529988242164, "p_units": "Pa", "rhomolar": 2245.0762899076435, "rhomolar_units": "mol/m^3", "smolar": -504.1815274669054, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 270.2, "T_units": "K", "hmolar": -120568.4735005771, "hmolar_units": "J/mol", "p": 0.15975309946541058, "p_units": "Pa", "rhomolar": 7.110984697426037e-05, "rhomolar_units": "mol/m^3", "smolar": -228.73103433656973, "smolar_units": "J/mol/K" } } }