{ "ANCILLARIES": { "hL": { "A": [ -65886.25523881183, 194.0272776001964, 0.7619004200926986, -0.0072390266312652935, 2.9757036006712477e-05, -7.012157792155186e-08, 8.837545054249725e-11, -4.7077914022462224e-14 ], "B": [ 1, -0.0023293064961178475 ], "Tmax": 425.025, "Tmin": 134.895, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 313.9350446757544, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 30831.114176364186, 35.211964538156124, -2.2698131426900754, 0.017557134029768152, -7.2617965034002e-05, 1.7183052216652222e-07, -2.1979978720220383e-10, 1.191139086554405e-13 ], "B": [ 1, -0.0023263940766133973 ], "Tmax": 425.025, "Tmin": 134.895, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 731.0648141534498, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "melting_line": { "BibTeX": "Buecker-JPCRD-2006B", "T_m": 135.23, "parts": [ { "T_0": 134.895, "T_max": 163.9, "T_min": 134.895, "a": [ 558558236.4 ], "p_0": 0.653, "t": [ 2.206 ] } ], "type": "polynomial_in_Tr" }, "pS": { "T_r": 425.125, "Tmax": 425.124999999999, "Tmin": 134.895, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.02366371569104686, "n": [ 0.06986482880463143, -6.689091326409199, 4.774874567188075, -5.7054710938841655, 1.8437119133933968, -3.735372218319482 ], "reducing_value": 3796000.0, "t": [ 0.743, 0.984, 1.886, 2.16, 3.286, 4.231 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 425.125, "Tmax": 425.124999999999, "Tmin": 134.895, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.21170510433432543, "n": [ 7.6544950329552, -16.928503641708495, 14.176327512939299, -2.3511736019127136, 5.431931351600508, -13.286388570143172 ], "reducing_value": 3922.7696129878086, "t": [ 0.501, 0.742, 0.917, 1.387, 9.328, 12.623 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 425.125, "Tmax": 425.124999999999, "Tmin": 134.895, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 1.1838723681035446, "n": [ -3.756767939636941, -2.819084986331516, 2.3817493893256763, -27.835034497609627, 409.95394459399324, -539.2138907428523 ], "reducing_value": 3922.7696129878086, "t": [ 0.448, 1.717, 4.443, 7.472, 13.095, 14.725 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -394.45158130058115, 3.745969942993724, -0.020681251182508388, 8.035751584028468e-05, -2.0496393951195907e-07, 3.2043400294816624e-10, -2.78365383538841e-13, 1.0119011053673634e-16 ], "B": [ 1, -0.0023272332097512903 ], "Tmax": 425.025, "Tmin": 134.895, "_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, -5.692661766826853e-06, 425.1473310005959 ], "cV": [ 0.0, 0.0, 8.526909313167263e-06, 425.0915508992536 ], "rhomolar_max": 3937.946709931644, "rhomolar_min": 3912.637210218117 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.0581222, "molar_mass_units": "kg/mol", "p_max": 12000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=7555", "ALIASES": [ "nButane", "butane", "Butane", "BUTANE", "N-BUTANE", "R600", "NC4H10", "n-C4H10" ], "CAS": "106-97-8", "CHEMSPIDER_ID": 7555, "ENVIRONMENTAL": { "ASHRAE34": "A3", "FH": 4, "GWP100": 3.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 1, "Name": "n-Butane", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{4}H_{10}", "INCHI_KEY": "IJDNQMDRQITEOD-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3", "NAME": "n-Butane", "REFPROP_NAME": "BUTANE", "SMILES": "CCCC" }, "STATES": { "critical": { "T": 425.125, "T_units": "K", "hmolar": 40331.42740266437, "hmolar_units": "J/mol", "p": 3796000.0, "p_units": "Pa", "rhomolar": 3922.769612987809, "rhomolar_units": "mol/m^3", "smolar": 137.34805198475811, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 134.895, "T_units": "K", "hmolar": -5220.749887455389, "hmolar_units": "J/mol", "p": 0.6656582208078881, "p_units": "Pa", "rhomolar": 12645.062133275149, "rhomolar_units": "mol/m^3", "smolar": -27.033334124053958, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 134.895, "T_units": "K", "hmolar": 23603.75338595084, "hmolar_units": "J/mol", "p": 0.6656582208078881, "p_units": "Pa", "rhomolar": 0.0005935027093652988, "rhomolar_units": "mol/m^3", "smolar": 186.6477011654006, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Perkins-JCED-2002-nButane", "critical": { "GAMMA": 0.0496, "R0": 1.03, "gamma": 1.239, "qD": 1142400182.0, "type": "simplified_Olchowy_Sengers", "zeta0": 1.94e-10 }, "dilute": { "A": [ 0.00162676, 0.000975703, 0.0289887 ], "B": [ 1.0 ], "T_reducing": 425.16, "T_reducing_units": "K", "m": [ 0 ], "n": [ 0, 1, 2 ], "type": "ratio_of_polynomials" }, "residual": { "B": [ -0.0304337, 0.16582, -0.148144, 0.05255, -0.00629367, 0.0418357, -0.147163, 0.133542, -0.0485489, 0.00644307 ], "T_reducing": 425.16, "T_reducing_units": "K", "d": [ 1, 2, 3, 4, 5, 1, 2, 3, 4, 5 ], "rhomass_reducing": 227.8, "rhomass_reducing_units": "kg/m^3", "t": [ 0, 0, 0, 0, 0, -1, -1, -1, -1, -1 ], "type": "polynomial" } }, "viscosity": { "BibTeX": "Vogel-HTHP-1999", "dilute": { "C": 2.1357e-08, "a": [ 0.17067154, -0.48879666, 0.039038856 ], "molar_mass": 0.0581222, "molar_mass_units": "kg/mol", "t": [ 0, 1, 2 ], "type": "collision_integral" }, "epsilon_over_k": 280.51, "epsilon_over_k_units": "K", "higher_order": { "T_reduce": 425.125, "T_reduce_units": "K", "a": [ -5.47737770846e-05, 5.80898623034e-05, 3.52658446259e-05, -3.96682203832e-05, -1.83729542151e-06, 0.0, -8.33262985358e-07, 1.93837020663e-06 ], "d1": [ 2, 2, 3, 3, 4, 4, 5, 5 ], "d2": [ 1 ], "f": [ 0.000188075903903 ], "g": [ 2.30873963359, 2.0340403725423957 ], "gamma": [ 0, 0, 0, 0, 0, 0, 0, 0 ], "h": [ 0, -0.5 ], "l": [ 1, 1, 1, 1, 1, 1, 1, 1 ], "p": [ 1 ], "q": [ 0 ], "rhomolar_reduce": 3920, "rhomolar_reduce_units": "mol/m^3", "t1": [ 0, 1, 0, 1, 0, 1, 0, 1 ], "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": 5.7335e-10, "sigma_eta_units": "m" } } }