{ "ANCILLARIES": { "hL": { "A": [ -78528.42581794098, 241.74029024533226, -0.24915312827909075, 0.0006704587769436075, -3.3425931745093963e-06, 1.0726098413722431e-08, -1.734165916803351e-11, 1.0253093528655403e-14 ], "B": [ 1, -0.0019192498924755234 ], "Tmax": 514.61, "Tmin": 159.10000000000002, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 253.0918978591635, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 51357.68589743386, -79.15383458692652, -0.4794460040867968, 0.0021455323836419584, -2.5360622479546228e-06, -5.683528592262342e-09, 1.677674923773602e-11, -1.0948757631874753e-14 ], "B": [ 1, -0.0019256056788626934 ], "Tmax": 514.61, "Tmin": 159.10000000000002, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 447.8436475123028, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "melting_line": { "BibTeX": "Sun-BBPC-1988", "T_m": 158.8, "_note": "Modified coefficients to make minimum state agree with triple point", "parts": [ { "T_0": 158.37, "T_max": 10000, "T_min": 158.37, "a": 436900000.0, "c": 2.6432, "p_0": 0.0007350470774722485 } ], "type": "Simon" }, "pS": { "T_r": 514.71, "Tmax": 514.7099999999989, "Tmin": 159.1, "description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.033827061431446204, "n": [ -7.689152382102059, -6.126637668761524, 6.6239961045380715, -7.827481023390803, 3.1386332149218172, -6.712235308208619 ], "reducing_value": 6268000.0, "t": [ 0.971, 2.322, 3.072, 3.934, 4.465, 19.972 ], "type": "pL", "using_tau_r": true }, "rhoL": { "T_r": 514.71, "Tmax": 514.7099999999989, "Tmin": 159.1, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.7371174097769773, "n": [ 7.824518623386008, -338.93732001583646, 368.3422016038343, -90.14206962630433, 80.35347134933373, -26.00710239571597 ], "reducing_value": 5930.0, "t": [ 0.596, 1.495, 1.561, 2.737, 3.606, 4.943 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 514.71, "Tmax": 514.7099999999989, "Tmin": 159.1, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 6.337867778240303, "n": [ -4.698337259111072, -10.953380258011986, 12.92351305172882, -1017.0017776259273, 1604.552160868234, -1439.9265562459323 ], "reducing_value": 5930.0, "t": [ 0.443, 2.304, 4.146, 11.027, 12.113, 17.485 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -323.5986202184598, 2.1858528149760836, -0.00860017240111237, 2.3595406210866773e-05, -4.025357789948479e-08, 4.1095280268612255e-11, -2.631210716080906e-14, 9.31615991118147e-18 ], "B": [ 1, -0.0019214952835844615 ], "Tmax": 514.61, "Tmin": 159.10000000000002, "_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": [ -4.321404777621795e-11, -1.7076779247457985e-07, 0.006584159024686301, 490.68230210427 ], "cV": [ -2.864544233706444e-10, 4.144580667152323e-06, -0.01893530325526736, 540.986310635042 ], "rhomolar_max": 6232.430871796149, "rhomolar_min": 5611.7525953516915 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.04606844, "molar_mass_units": "kg/mol", "p_max": 280000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=682", "ALIASES": [ "C2H6O", "ethanol", "ETHANOL" ], "CAS": "64-17-5", "CHEMSPIDER_ID": 682, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 3, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 2, "Name": "Ethanol", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{2}H_{6}O_{1}", "INCHI_KEY": "LFQSCWFLJHTTHZ-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3", "NAME": "Ethanol", "REFPROP_NAME": "ETHANOL", "SMILES": "CCO" }, "STATES": { "critical": { "T": 514.71, "T_units": "K", "hmolar": 34953.85764225318, "hmolar_units": "J/mol", "p": 6268000.0, "p_units": "Pa", "rhomolar": 5930.0, "rhomolar_units": "mol/m^3", "smolar": 77.40828916958719, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 159.10000000000002, "T_units": "K", "hmolar": -19858.228464275544, "hmolar_units": "J/mol", "p": 0.0007353928225172699, "p_units": "Pa", "rhomolar": 19729.112579315857, "rhomolar_units": "mol/m^3", "smolar": -79.40115445686752, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 159.10000000000002, "T_units": "K", "hmolar": 28149.405903876126, "hmolar_units": "J/mol", "p": 0.0007350470774722485, "p_units": "Pa", "rhomolar": 5.556614984608756e-07, "rhomolar_units": "mol/m^3", "smolar": 222.34387614119467, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Assael-JPCRD-2013-Ethanol", "critical": { "GAMMA": 0.05885, "qD": 1880000000.0, "type": "simplified_Olchowy_Sengers", "zeta0": 1.64296e-10 }, "dilute": { "A": [ -0.00209575, 0.0199045, -0.053964, 0.0821223, -0.00198864, -0.000495513 ], "B": [ 0.17223, -0.078273, 1 ], "T_reducing": 514.71, "T_reducing_units": "K", "m": [ 0, 1, 2 ], "n": [ 0, 1, 2, 3, 4, 5 ], "type": "ratio_of_polynomials" }, "residual": { "B": [ 0.0267222, 0.0177166, 0.148279, -0.0893088, -0.130429, 0.0684664, 0.0346232, -0.0145702, -0.00244293, 0.000809189 ], "T_reducing": 514.71, "T_reducing_units": "K", "d": [ 1, 1, 2, 2, 3, 3, 4, 4, 5, 5 ], "rhomass_reducing": 273.186, "rhomass_reducing_units": "kg/m^3", "t": [ 0, -1, 0, -1, 0, -1, 0, -1, 0, -1 ], "type": "polynomial" } }, "viscosity": { "BibTeX": "Kiselev-IECR-2005", "dilute": { "a": [ -1.03116e-06, 3.48379e-08, -6.50264e-12 ], "t": [ 0, 1, 2 ], "type": "powers_of_T" }, "epsilon_over_k": 362.6, "epsilon_over_k_units": "K", "higher_order": { "T_reduce": 513.9, "T_reduce_units": "K", "a": [ 0.000131194057, -0.000382240694, -8.05700894e-05, 0.000153811778, -0.000110578307 ], "d1": [ 2, 2, 3, 3, 3 ], "d2": [ 1 ], "f": [ 0.0237222995 ], "g": [ -3.38264465, 12.7568864 ], "gamma": [ 0, 0, 0, 0, 0 ], "h": [ 0, -0.5 ], "l": [ 1, 1, 1, 1, 1 ], "p": [ 1 ], "q": [ 0 ], "rhomolar_reduce": 5991, "rhomolar_reduce_units": "mol/m^3", "t1": [ 0, 1, 0, 1, 2 ], "t2": [ 0 ], "type": "modified_Batschinski_Hildebrand" }, "initial_density": { "b": [ -19.572881, 219.73999, -1015.3226, 2471.01251, -3375.1717, 2491.6597, -787.26086, 14.085455, -0.34664158 ], "t": [ 0, -0.25, -0.5, -0.75, -1.0, -1.25, -1.5, -2.5, -5.5 ], "type": "Rainwater-Friend" }, "sigma_eta": 4.53e-10, "sigma_eta_units": "m" } } }