Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, ethyl pentafluorobenzyl ester

1,2-Cyclohexanedicarboxylic acid, ethyl pentafluorobenzyl ester

InChI
InChI=1S/C17H17F5O4/c1-2-25-16(23)8-5-3-4-6-9(8)17(24)26-7-10-11(18)13(20)15(22)14(21)12(10)19/h8-9H,2-7H2,1H3
InChI Key
OAXRYCICPBPTBP-UHFFFAOYSA-N
Formula
C17H17F5O4
SMILES
CCOC(=O)C1CCCCC1C(=O)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
380.31
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Physical Properties

Property Value Unit Source
ΔfusH° 48.93 kJ/mol Joback Calculated Property
logPoct/wat 3.795 Crippen Calculated Property
McVol 239.500 ml/mol McGowan Calculated Property
Inp [1917.00; 1917.00]   Show Hide
Inp 1917.00 NIST
Inp 1917.00 NIST
Tboil 595.53 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [359.43; 805.95] 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 A4.66320e+01
Coefficient B1.28742e+00
Coefficient C-5.15400e-04
Coefficient D-1.27000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 359.43 J/mol×K 273.00 Calculated Property
Cp,gas 437.02 J/mol×K 353.78 Calculated Property
Cp,gas 507.72 J/mol×K 434.56 Calculated Property
Cp,gas 571.47 J/mol×K 515.33 Calculated Property
Cp,gas 628.24 J/mol×K 596.11 Calculated Property
Cp,gas 677.99 J/mol×K 676.89 Calculated Property
Cp,gas 720.67 J/mol×K 757.67 Calculated Property
Cp,gas 756.26 J/mol×K 838.44 Calculated Property
Cp,gas 784.70 J/mol×K 919.22 Calculated Property
Cp,gas 805.95 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,2-Cyclohexanedicarboxylic acid, butyl pentafluorobenzyl ester. 1,2-Cyclohexanedicarboxylic acid, octyl pentafluorobenzyl ester. 1,2-Cyclohexanedicarboxylic acid, pentafluorobenzyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, heptyl pentafluorobenzyl ester. 1,2-Cyclohexanedicarboxylic acid, pentafluorobenzyl tetradecyl ester. 1,2-Cyclohexanedicarboxylic acid, dodecyl pentafluorobenzyl ester. 1,2-Cyclohexanedicarboxylic acid, pentafluorobenzyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, hexyl pentafluorobenzyl ester. 1,2-Cyclohexanedicarboxylic acid, pentadecyl pentafluorobenzyl ester. 1,2-Cyclohexanedicarboxylic acid, nonyl pentafluorobenzyl ester. 1,2-Cyclohexanedicarboxylic acid, isobutyl pentafluorobenzyl ester. 1,2-Cyclohexanedicarboxylic acid, isohexyl pentafluorobenzyl ester. Succinic acid, cyclohexylmethyl pentafluorobenzyl ester. Glutaric acid, cyclohexylmethyl pentafluorobenzyl ester. Sebacic acid, isohexyl pentafluorobenzyl ester.

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, ethyl pentafluorobenzyl ester.

Sources

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