{ "ANCILLARIES": { "hL": { "A": [ -58825.30579827499, 170.41621796220082, 0.6182291614464025, -0.005316755104063914, 2.1009027192984093e-05, -5.0500793175956854e-08, 6.674963012412115e-11, -3.8111113224657964e-14 ], "B": [ 1, -0.0024220167463922544 ], "Tmax": 407.717, "Tmin": 113.73, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 312.5893026211961, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 29849.76393320267, -6.328745084289547, -1.644221574211341, 0.013428971489655776, -5.819117092736326e-05, 1.4498885557783416e-07, -1.962754329693819e-10, 1.1320327074681495e-13 ], "B": [ 1, -0.0024209575465979774 ], "Tmax": 407.717, "Tmin": 113.73, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 724.7717509068489, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "melting_line": { "BibTeX": "Buecker-JPCRD-2006B", "T_m": 113.55, "parts": [ { "T_0": 113.73, "T_max": 127, "T_min": 113.73, "a": [ 1953637130.9 ], "p_0": 0.0219, "t": [ 6.12 ] } ], "type": "polynomial_in_Tr" }, "pS": { "T_r": 407.817, "Tmax": 407.81699999999915, "Tmin": 113.73000000000002, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.019699846909193575, "n": [ -48.02915589537987, 43.34653680580028, -1.4421317283854331, -3.1322275225078413, 5.203481182010376, -6.173022897817098 ], "reducing_value": 3629000.0, "t": [ 1.082, 1.108, 1.463, 4.045, 13.157, 14.042 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 407.817, "Tmax": 407.81699999999915, "Tmin": 113.73000000000002, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.26628224832738745, "n": [ 2.0418147224188545, 0.4363922893974425, 1.915261424521202, -2.1807762762122045, 1.068664850362356, -6.816247938174933 ], "reducing_value": 3879.756788283995, "t": [ 0.356, 0.824, 3.142, 3.696, 6.863, 18.441 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 407.817, "Tmax": 407.81699999999915, "Tmin": 113.73000000000002, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.4922366156330571, "n": [ -2.8656855559386294, 0.7330458189287201, -4.254613288675131, 2.9956235180226516, -5.671641417558254, 0.14361022568133902 ], "reducing_value": 3879.756788283995, "t": [ 0.37, 0.502, 1.021, 2.003, 3.403, 10.717 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -343.0209799778313, 3.0679708571772397, -0.016323282124038198, 6.5982765116048e-05, -1.8389856775816232e-07, 3.222783911028215e-10, -3.199427811338925e-13, 1.3549696201855645e-16 ], "B": [ 1, -0.0024173191640421868 ], "Tmax": 407.717, "Tmin": 113.73, "_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": [ -4.4074892731107477e-10, 4.7123672337356735e-06, -0.01666254100244952, 427.2704151083339 ], "cV": [ 4.1509787184030793e-10, -5.1719952249655754e-06, 0.021387369158083452, 378.44898088210823 ], "rhomolar_max": 4218.938217762173, "rhomolar_min": 3515.5103304226764 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.0581222, "molar_mass_units": "kg/mol", "p_max": 35000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=6120", "ALIASES": [ "isobutane", "Isobutane", "ISOBUTANE", "R600A", "R600a", "ISOBUTAN" ], "CAS": "75-28-5", "CHEMSPIDER_ID": 6120, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 4, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 1, "Name": "IsoButane", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{4}H_{10}", "INCHI_KEY": "NNPPMTNAJDCUHE-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3", "NAME": "IsoButane", "REFPROP_NAME": "ISOBUTAN", "SMILES": "CC(C)C" }, "STATES": { "critical": { "T": 407.817, "T_units": "K", "hmolar": 36847.01527077499, "hmolar_units": "J/mol", "p": 3629000.0, "p_units": "Pa", "rhomolar": 3879.756788283995, "rhomolar_units": "mol/m^3", "smolar": 129.37661215361217, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 113.73, "T_units": "K", "hmolar": -6531.616406954191, "hmolar_units": "J/mol", "p": 0.022890839011893836, "p_units": "Pa", "rhomolar": 12737.624458353643, "rhomolar_units": "mol/m^3", "smolar": -39.51403685940225, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 113.73, "T_units": "K", "hmolar": 21407.563324517243, "hmolar_units": "J/mol", "p": 0.022890660531902304, "p_units": "Pa", "rhomolar": 2.4207430192010477e-05, "rhomolar_units": "mol/m^3", "smolar": 206.14831899632148, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Perkins-JCED-2002-Isobutane", "critical": { "GAMMA": 0.0496, "R0": 1.03, "gamma": 1.239, "qD": 1520540217.5, "type": "simplified_Olchowy_Sengers", "zeta0": 1.94e-10 }, "dilute": { "A": [ -0.00237901, 0.0106601, 0.0215811 ], "B": [ 1.0 ], "T_reducing": 407.85, "T_reducing_units": "K", "m": [ 0 ], "n": [ 0, 1, 2 ], "type": "ratio_of_polynomials" }, "residual": { "B": [ -0.0411789, 0.146805, -0.11919, 0.0410226, -0.00488704, 0.0476346, -0.128445, 0.107565, -0.0385968, 0.00520901 ], "T_reducing": 407.85, "T_reducing_units": "K", "d": [ 1, 2, 3, 4, 5, 1, 2, 3, 4, 5 ], "rhomass_reducing": 224.4, "rhomass_reducing_units": "kg/m^3", "t": [ 0, 0, 0, 0, 0, -1, -1, -1, -1, -1 ], "type": "polynomial" } }, "viscosity": { "BibTeX": "Vogel-IJT-2000", "dilute": { "C": 2.1357e-08, "a": [ 0.53583008, -0.4562963, 0.049911282 ], "molar_mass": 0.0581222, "molar_mass_units": "kg/mol", "t": [ 0, 1, 2 ], "type": "collision_integral" }, "epsilon_over_k": 307.55, "epsilon_over_k_units": "K", "higher_order": { "T_reduce": 407.817, "T_reduce_units": "K", "a": [ 0.000103511763411, -0.000312670896234, 0.000145253750239, -0.000210649894193, 0.000386269696509, -0.000214963015527, 0.00011258036092, -0.000223242033154, 0.000119114788598, -1.819097459e-05, 3.60438957232e-05, -2.1396018405e-05 ], "d1": [ 2, 2, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5 ], "d2": [ 1 ], "f": [ 0.0019403760699 ], "g": [ 2.33859774637, 2.352551508384381 ], "gamma": [ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ], "h": [ 0, -0.5 ], "l": [ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ], "p": [ 1 ], "q": [ 0 ], "rhomolar_reduce": 3860, "rhomolar_reduce_units": "mol/m^3", "t1": [ 0, 1, 2, 0, 1, 2, 0, 1, 2, 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": 4.6445e-10, "sigma_eta_units": "m" } } }