{ "ANCILLARIES": { "hL": { "A": [ -581609.5890842553, 1392.3322718643683, -1.583971185702641, 0.003308902613323195, -5.623206832444846e-06, 4.844895013963406e-09, -2.1919858079164907e-12, 3.7926274374588355e-16 ], "B": [ 1, -0.0013090654804625125 ], "Tmax": 754.9, "Tmin": 302.71, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 721.8522039249219, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 170678.43900472016, -550.1738619041718, 0.40004275660737915, 0.0019080057058475136, -6.923074219006068e-06, 1.0535453377887993e-08, -8.166572526866658e-12, 2.6680334809446064e-15 ], "B": [ 1, -0.0013048476529958337 ], "Tmax": 754.9, "Tmin": 302.71, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 1545.513525630774, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 755.0, "Tmax": 754.9999999999989, "Tmin": 302.71, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.06516577213850905, "n": [ -49.42161889019046, 86.39453424481549, -53.20027068141909, 29.0638839763908, -32.30173734463781, -268.73594683826116 ], "reducing_value": 1350000.0, "t": [ 1.148, 1.368, 1.624, 2.975, 3.32, 19.755 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 755.0, "Tmax": 754.9999999999989, "Tmin": 302.71, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.5711439134841956, "n": [ 8.115113277917509, -10.668602921854127, 14.100804969050921, -14.920857658639772, 14.097757694754387, -11.701003403802398 ], "reducing_value": 897.0, "t": [ 0.572, 0.956, 1.766, 2.722, 4.689, 7.482 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 755.0, "Tmax": 754.9999999999989, "Tmin": 302.71, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 1.7980953783183873, "n": [ 4.227092755463742, -12.213864670363002, 2.57530354383432, -18.011755302716594, 8.945678039029339, -44.300913375832856 ], "reducing_value": 897.0, "t": [ 0.489, 0.54, 1.177, 3.065, 4.389, 11.027 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -1825.4413678474257, 9.235818795319705, -0.028284992253450346, 6.54721790552104e-05, -1.0297569459557982e-07, 1.0072621091291478e-10, -5.567572711539362e-14, 1.3293077231453036e-17 ], "B": [ 1, -0.0013077952525366496 ], "Tmax": 754.9, "Tmin": 302.71, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 1.0171044111558842, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 2340.225663463393, -20.71741019658505, 0.08888276805774459, -0.00022781673596485494, 3.6487414965143787e-07, -3.588714266730351e-10, 1.9855466603683557e-13, -4.7295461781668803e-17 ], "B": [ 1, -0.0013022830115743036 ], "Tmax": 754.9, "Tmin": 302.71, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 2.223662481486417, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2014", "Tc": 755.0, "a": [ 0.025025, 0.044435 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 3.039, 1.1653 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Huber-EF-2009", "STATES": { "hs_anchor": { "T": 830.5000000000001, "T_units": "K", "hmolar": 209779.6874975022, "hmolar_units": "J/mol", "p": 2779790.1803893917, "p_units": "Pa", "rhomolar": 807.3000000000001, "rhomolar_units": "mol/m^3", "smolar": 290.6124595629075, "smolar_units": "J/mol/K" }, "reducing": { "T": 755, "T_units": "K", "hmolar": 142963.88497189272, "hmolar_units": "J/mol", "p": 1350000, "p_units": "Pa", "rhomolar": 897, "rhomolar_units": "mol/m^3", "smolar": 208.40095189733947, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 302.71, "T_units": "K", "hmolar": -204308.49838855767, "hmolar_units": "J/mol", "p": 0.01640135619056235, "p_units": "Pa", "rhomolar": 3181.4425392504954, "rhomolar_units": "mol/m^3", "smolar": -460.5737994228647, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 302.71, "T_units": "K", "hmolar": -110581.01382597939, "hmolar_units": "J/mol", "p": 0.01640135619056235, "p_units": "Pa", "rhomolar": 6.516532854603883e-06, "rhomolar_units": "mol/m^3", "smolar": -150.94582403448956, "smolar_units": "J/mol/K" } }, "T_max": 1000, "T_max_units": "K", "Ttriple": 302.71, "Ttriple_units": "K", "acentric": 0.910316178, "acentric_units": "-", "alpha0": [ { "a1": -1, "a2": 0, "type": "IdealGasHelmholtzLead" }, { "a": -1, "type": "IdealGasHelmholtzLogTau" }, { "T0": 298, "Tc": 755, "c": [ 14.49629032366697 ], "t": [ 0.0801627 ], "type": "IdealGasHelmholtzCP0PolyT" }, { "n": [ 41.56848444495333, 34.76324173080383, 36.27879196658549 ], "t": [ 3.910423841059603, 0.9730503311258278, 2.110662251655629 ], "type": "IdealGasHelmholtzPlanckEinstein" }, { "a1": 50.7611531834779, "a2": -21.442651306684, "reference": "NBP", "type": "IdealGasHelmholtzEnthalpyEntropyOffset" } ], "alphar": [ { "d": [ 4, 1, 1, 2, 3, 1, 3, 2, 2, 7 ], "l": [ 0, 0, 0, 0, 0, 2, 2, 1, 2, 1 ], "n": [ 0.04282821, 2.443162, -3.75754, -0.1588526, 0.0405599, -1.52409, -0.7686167, 1.79995, -1.590967, -0.01267681 ], "t": [ 1, 0.36, 1.22, 1.45, 0.7, 3, 3.9, 2.2, 2.9, 1.25 ], "type": "ResidualHelmholtzPower" }, { "beta": [ 0.9, 0.65, 0.75 ], "d": [ 1, 1, 3 ], "epsilon": [ 0.79, 0.9, 0.76 ], "eta": [ 1.1, 1.6, 1.1 ], "gamma": [ 1.14, 0.65, 0.77 ], "n": [ 2.198347, -0.7737211, -0.431452 ], "t": [ 2.6, 3, 3.2 ], "type": "ResidualHelmholtzGaussian" } ], "critical_region_splines": { "T_max": 755.0, "T_min": 754.9979946139788, "_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": [ -8.453804974988888e-07, 0.0022314430347624794, -1.9626065342276378, 1330.1589912157262 ], "cV": [ 8.346377269227008e-07, -0.002289692013105165, 2.0930363910460232, 117.46650514532276 ], "rhomolar_max": 903.4045446436754, "rhomolar_min": 890.603960171529 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.27045066, "molar_mass_units": "kg/mol", "p_max": 50000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=7889", "ALIASES": [ "METHYLPALMITATE", "MPALMITA" ], "CAS": "112-39-0", "CHEMSPIDER_ID": 7889, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 0, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 1, "Name": "MethylPalmitate", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{17}H_{34}O_{2}", "INCHI_KEY": "FLIACVVOZYBSBS-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3", "NAME": "MethylPalmitate", "REFPROP_NAME": "MPALMITA", "SMILES": "CCCCCCCCCCCCCCCC(=O)OC" }, "STATES": { "critical": { "T": 755.0, "T_units": "K", "hmolar": 142901.53038997736, "hmolar_units": "J/mol", "p": 1350000.0, "p_units": "Pa", "rhomolar": 897.0, "rhomolar_units": "mol/m^3", "smolar": 208.32082341166947, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 302.71, "T_units": "K", "hmolar": -204308.49838855767, "hmolar_units": "J/mol", "p": 0.01640135619056235, "p_units": "Pa", "rhomolar": 3181.4425392504954, "rhomolar_units": "mol/m^3", "smolar": -460.5737994228647, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 302.71, "T_units": "K", "hmolar": -110581.01382597939, "hmolar_units": "J/mol", "p": 0.01640135619056235, "p_units": "Pa", "rhomolar": 6.516532854603883e-06, "rhomolar_units": "mol/m^3", "smolar": -150.94582403448956, "smolar_units": "J/mol/K" } } }