{ "ANCILLARIES": { "hL": { "A": [ -4979.215320042018, -368.78738321973844, 11.359962364136745, -0.15129584582095912, 0.0011728023067557984, -5.415450744273189e-06, 1.3805044833676132e-08, -1.502343597157067e-11 ], "B": [ 1, -0.0051961114055151135 ], "Tmax": 190.464, "Tmin": 90.6941, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 54.05987083437981, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ -12134.05968496278, 1186.304208224698, -29.74658674660845, 0.39001573434463993, -0.0030338172527304597, 1.402769564863307e-05, -3.573155854911874e-08, 3.8799062065966167e-11 ], "B": [ 1, -0.005194419040657312 ], "Tmax": 190.464, "Tmin": 90.6941, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 126.54385503980097, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "melting_line": { "BibTeX": "Abramson-HPR-2011", "T_m": 90.7, "parts": [ { "T_0": 90.6941, "T_max": 600, "T_min": 90.6941, "a": 208000000.0, "c": 1.698, "p_0": 11700.0 } ], "type": "Simon" }, "pS": { "T_r": 190.564, "Tmax": 190.56399999999954, "Tmin": 90.69410000000002, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.0043709218045084874, "n": [ -0.36511751226395045, -7.477611035699516, 2.8218785804602344, -0.3138277099613026, -14.181166200304828, 13.10811727353235 ], "reducing_value": 4599200.0, "t": [ 0.935, 1.03, 1.204, 3.176, 5.616, 5.744 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 190.564, "Tmax": 190.56399999999954, "Tmin": 90.69410000000002, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.03816630998332293, "n": [ 1.0459450372370667, 1.137482950365497, 0.25267850508364803, -0.15127345979918666, 11.30484305385285, -1807.5949062134612 ], "reducing_value": 10139.127999999999, "t": [ 0.309, 0.502, 1.402, 3.858, 10.533, 19.547 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 190.564, "Tmax": 190.56399999999954, "Tmin": 90.69410000000002, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.043503419703461166, "n": [ -3.258091004501641, 24.278993697870174, -25.256402428812585, -0.17494067187770526, 0.3375209723239743, -2.3099699792209805 ], "reducing_value": 10139.127999999999, "t": [ 0.392, 0.606, 0.631, 1.024, 2.03, 4.077 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -128.63062228964395, 1.120677981216983, 0.015553828672761026, -0.0003914140270277121, 3.722128592603778e-06, -1.9093289538349627e-08, 5.195293842836945e-11, -5.91118729535138e-14 ], "B": [ 1, -0.005196860456046932 ], "Tmax": 190.464, "Tmin": 90.6941, "_note": "coefficients are in increasing order; 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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, -8.298041773773189e-07, 190.57241349076935 ], "cV": [ 0.0, 0.0, 8.001489626516288e-07, 190.5558871872486 ], "rhomolar_max": 10178.523590876614, "rhomolar_min": 10098.272325109083 }, "gas_constant": 8.31451, "gas_constant_units": "J/mol/K", "molar_mass": 0.0160428, "molar_mass_units": "kg/mol", "p_max": 1000000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=291", "ALIASES": [ "CH4", "methane", "METHANE", "R50", "n-C1H4" ], "CAS": "74-82-8", "CHEMSPIDER_ID": 291, "ENVIRONMENTAL": { "ASHRAE34": "A3", "FH": 4, "GWP100": 25.0, "GWP20": 72.0, "GWP500": 7.6, "HH": 0, "Name": "Methane", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{1}H_{4}", "INCHI_KEY": "VNWKTOKETHGBQD-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/CH4/h1H4", "NAME": "Methane", "REFPROP_NAME": "METHANE", "SMILES": "C" }, "STATES": { "critical": { "T": 190.564, "T_units": "K", "hmolar": 6667.234961434366, "hmolar_units": "J/mol", "p": 4599200.0, "p_units": "Pa", "rhomolar": 10139.128, "rhomolar_units": "mol/m^3", "smolar": 41.108753830526176, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 90.6941, "T_units": "K", "hmolar": -1152.195338748396, "hmolar_units": "J/mol", "p": 11696.064114962215, "p_units": "Pa", "rhomolar": 28141.914792659172, "rhomolar_units": "mol/m^3", "smolar": -11.389445537386989, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 90.6941, "T_units": "K", "hmolar": 7579.304080614051, "hmolar_units": "J/mol", "p": 11696.066112170545, "p_units": "Pa", "rhomolar": 15.629694499289354, "rhomolar_units": "mol/m^3", "smolar": 84.8847254570935, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Friend-JPCRD-1989", "hardcoded": "Methane" }, "viscosity": { "BibTeX": "QuinonesCisneros-JPCB-2006", "dilute": { "T_reducing": 190.564, "a": [ 2.60536e-06, -1.85247e-05, 2.34216e-05, 0.0 ], "t": [ 0, 0.25, 0.5, 0.75 ], "type": "powers_of_Tr" }, "epsilon_over_k": 148.6, "epsilon_over_k_units": "K", "higher_order": { "Aa": [ -3.12118e-08, 1.99422e-10, 0 ], "Aaa": [ -8.52992e-13, -3.58009e-13, 0.0 ], "Adrdr": [ 1.60099e-11, 8.50221e-13, 0.0 ], "Ai": [ 3.49668e-08, -1.73176e-08, 0.0 ], "Aii": [ -3.55631e-10, 2.80326e-10, 0.0 ], "Ar": [ 5.98858e-08, -4.91143e-08, 0.0 ], "Na": 1, "Naa": 3, "Nii": 3, "Nr": 1, "Nrr": 3, "T_reduce": 190.564, "c1": 1, "c2": 1, "type": "friction_theory" }, "sigma_eta": 3.758e-10, "sigma_eta_units": "m" } } }