{ "ANCILLARIES": { "hL": { "A": [ -73225.39497822314, 133.0209270028952, 1.1917273876213028, -0.008035452429039417, 2.6584696433245994e-05, -5.095902073747801e-08, 5.2731642439094074e-11, -2.3053397422838956e-14 ], "B": [ 1, -0.0019509728489783714 ], "Tmax": 508.0, "Tmin": 178.5, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 384.9841291590492, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 37491.091237894725, 131.61618597358242, -3.025784588230893, 0.018529654780505788, -6.291442656992003e-05, 1.238007275301546e-07, -1.3222098442060083e-10, 5.971082141248883e-14 ], "B": [ 1, -0.0019474306364265159 ], "Tmax": 508.0, "Tmin": 178.5, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 908.9170113698356, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 508.1, "Tmax": 508.09999999999917, "Tmin": 178.5, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.019812926978735046, "n": [ -0.0016008456143345507, 3.207344301426565, -10.073384813177839, 0.43583596844503064, -3.5513036420695365, -0.8398623740312517 ], "reducing_value": 4700000.0, "t": [ 0.001, 0.884, 0.945, 1.521, 3.503, 6.996 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 508.1, "Tmax": 508.09999999999917, "Tmin": 178.5, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.29006434789575763, "n": [ 7.78253597073335, -18.960548358570204, 22.83032556167124, -224.35339428090518, 232.0353784600054, -16.31650346262528 ], "reducing_value": 4699.999999999999, "t": [ 0.45, 0.684, 0.944, 1.818, 1.876, 2.307 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 508.1, "Tmax": 508.09999999999917, "Tmin": 178.5, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.7378704127629088, "n": [ -2.7083518485413607, -3.1091181958405696, -11.940789313674161, 6086.186843505146, -12978.535578983987, 7630.400461122001 ], "reducing_value": 4699.999999999999, "t": [ 0.375, 0.899, 5.115, 12.812, 13.551, 14.638 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -379.42437664316697, 2.9206729927171406, -0.012341212212130769, 3.5150807785968256e-05, -6.273869560162064e-08, 6.23315692991847e-11, -2.6866232062877433e-14, 3.930573970544525e-19 ], "B": [ 1, -0.0019509385982245258 ], "Tmax": 508.0, "Tmin": 178.5, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.7598376433868914, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 1138.1202689903294, -14.625549947431587, 0.0935737513526732, -0.0003610170435163653, 8.68675966324739e-07, -1.2762069538180948e-09, 1.047688711343325e-12, -3.676247886252981e-16 ], "B": [ 1, -0.001939620356851014 ], "Tmax": 508.0, "Tmin": 178.5, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 2.091363677176668, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 508.1, "a": [ 0.0633 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.16 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Lemmon-JCED-2006", "STATES": { "hs_anchor": { "T": 558.9100000000001, "T_units": "K", "hmolar": 39967.71144362836, "hmolar_units": "J/mol", "p": 8008123.255009775, "p_units": "Pa", "rhomolar": 4229.999999999999, "rhomolar_units": "mol/m^3", "smolar": 87.25073968711048, "smolar_units": "J/mol/K" }, "reducing": { "T": 508.1, "T_units": "K", "hmolar": 31621.72981668152, "hmolar_units": "J/mol", "p": 4700000, "p_units": "Pa", "rhomolar": 4699.999999999999, "rhomolar_units": "mol/m^3", "smolar": 72.98341763643424, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 178.5, "T_units": "K", "hmolar": -18159.003582840218, "hmolar_units": "J/mol", "p": 2.326486886400373, "p_units": "Pa", "rhomolar": 15722.961344266094, "rhomolar_units": "mol/m^3", "smolar": -73.31508515241993, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 178.5, "T_units": "K", "hmolar": 19539.951308346743, "hmolar_units": "J/mol", "p": 2.326486789051627, "p_units": "Pa", "rhomolar": 0.0015676503850573736, "rhomolar_units": "mol/m^3", "smolar": 137.88354166548447, "smolar_units": "J/mol/K" } }, "T_max": 550, "T_max_units": "K", "Ttriple": 178.5, "Ttriple_units": "K", "acentric": 0.3071, "acentric_units": "-", "alpha0": [ { "a1": -9.4883659997, "a2": 7.1422719708, "type": "IdealGasHelmholtzLead" }, { "a": 3, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 3.7072, 7.0675, 11.012 ], "t": [ 0.6101161188742373, 6.849045463491438, 3.101751623696123 ], "type": "IdealGasHelmholtzPlanckEinstein" }, { "a1": 9.7898709978717, "a2": -4.41053410795899, "reference": "NBP", "type": "IdealGasHelmholtzEnthalpyEntropyOffset" } ], "alphar": [ { "d": [ 1, 1, 1, 3, 7, 1, 2, 5, 1, 1, 4, 2 ], "l": [ 0, 0, 0, 0, 0, 1, 1, 1, 2, 2, 2, 3 ], "n": [ 0.90041, -2.1267, -0.083409, 0.065683, 0.00016527, -0.039663, 0.72085, 0.0092318, -0.17217, -0.14961, -0.076124, -0.018166 ], "t": [ 0.25, 1.25, 1.5, 0.25, 0.875, 2.375, 2, 2.125, 3.5, 6.5, 4.75, 12.5 ], "type": "ResidualHelmholtzPower" } ], "critical_region_splines": { "T_max": 508.1, "T_min": 508.09970264118135, "_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, 0.0, -7.911681289094714e-06, 508.1371849020588 ], "cV": [ 0.0, 0.0, 8.31994940245324e-06, 508.0608962378085 ], "rhomolar_max": 4737.584782275033, "rhomolar_min": 4664.2595400179 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.05807914, "molar_mass_units": "kg/mol", "p_max": 700000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=175", "ALIASES": [ "acetone", "ACETONE" ], "CAS": "67-64-1", "CHEMSPIDER_ID": 175, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 3, "GWP100": 0.5, "GWP20": -1.0, "GWP500": -1.0, "HH": 2, "Name": "Acetone", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{3}H_{6}O_{1}", "INCHI_KEY": "CSCPPACGZOOCGX-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3", "NAME": "Acetone", "REFPROP_NAME": "ACETONE", "SMILES": "CC(=O)C" }, "STATES": { "critical": { "T": 508.1, "T_units": "K", "hmolar": 31614.73051047263, "hmolar_units": "J/mol", "p": 4700000.0, "p_units": "Pa", "rhomolar": 4699.999999999999, "rhomolar_units": "mol/m^3", "smolar": 72.97112978635582, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 178.5, "T_units": "K", "hmolar": -18159.003582840218, "hmolar_units": "J/mol", "p": 2.326486886400373, "p_units": "Pa", "rhomolar": 15722.961344266094, "rhomolar_units": "mol/m^3", "smolar": -73.31508515241993, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 178.5, "T_units": "K", "hmolar": 19539.951308346743, "hmolar_units": "J/mol", "p": 2.326486789051627, "p_units": "Pa", "rhomolar": 0.0015676503850573736, "rhomolar_units": "mol/m^3", "smolar": 137.88354166548447, "smolar_units": "J/mol/K" } } }