Chemical Properties of Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester

Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester

InChI
InChI=1S/C18H10F16O4/c19-11(20)15(27,28)17(31,32)13(23,24)5-37-9(35)7-2-1-3-8(4-7)10(36)38-6-14(25,26)18(33,34)16(29,30)12(21)22/h1-4,11-12H,5-6H2
InChI Key
NYOUDFDPEYLGEO-UHFFFAOYSA-N
Formula
C18H10F16O4
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1
Molecular Weight1
594.24
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Physical Properties

Property Value Unit Source
ΔfusH° 42.52 kJ/mol Joback Calculated Property
logPoct/wat 6.342 Crippen Calculated Property
McVol 283.920 ml/mol McGowan Calculated Property
Inp [1828.00; 1828.00]   Show Hide
Inp 1828.00 NIST
Inp 1828.00 NIST
Tboil 613.52 K Relay (1.0) Calculated Property
Tfus 374.02 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [487.09; 965.63] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.50080e+01
Coefficient B2.42120e+00
Coefficient C-2.02996e-03
Coefficient D6.09400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 487.09 J/mol×K 273.00 Calculated Property
Cp,gas 594.47 J/mol×K 353.78 Calculated Property
Cp,gas 683.81 J/mol×K 434.56 Calculated Property
Cp,gas 757.02 J/mol×K 515.33 Calculated Property
Cp,gas 816.04 J/mol×K 596.11 Calculated Property
Cp,gas 862.79 J/mol×K 676.89 Calculated Property
Cp,gas 899.19 J/mol×K 757.67 Calculated Property
Cp,gas 927.18 J/mol×K 838.44 Calculated Property
Cp,gas 948.69 J/mol×K 919.22 Calculated Property
Cp,gas 965.63 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 3-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Methylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 1-Naphthoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester. Isophthalic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester.

Find more compounds similar to Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester.

Sources

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