Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, butyl 2-fluorophenyl ester

1,2-Cyclohexanedicarboxylic acid, butyl 2-fluorophenyl ester

InChI
InChI=1S/C18H23FO4/c1-2-3-12-22-17(20)13-8-4-5-9-14(13)18(21)23-16-11-7-6-10-15(16)19/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3
InChI Key
CZGWOQFCRZVISW-UHFFFAOYSA-N
Formula
C18H23FO4
SMILES
CCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1F
Molecular Weight1
322.37
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Physical Properties

Property Value Unit Source
ΔfH°gas -929.42 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.75 kJ/mol Joback Calculated Property
ΔvapH° 96.82 kJ/mol Relay (1.0) Calculated Property
log10WS -4.59 Relay (1.0) Calculated Property
logPoct/wat 3.881 Crippen Calculated Property
McVol 246.510 ml/mol McGowan Calculated Property
Pc 1609.00 kPa Joback Calculated Property
Inp [2211.00; 2211.00]   Show Hide
Inp 2211.00 NIST
Inp 2211.00 NIST
Tboil 614.60 K Relay (1.0) Calculated Property
Tfus 310.06 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [337.64; 841.42] 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-3.58370e+01
Coefficient B1.57322e+00
Coefficient C-7.72360e-04
Coefficient D7.64000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 337.64 J/mol×K 273.00 Calculated Property
Cp,gas 427.45 J/mol×K 353.78 Calculated Property
Cp,gas 508.23 J/mol×K 434.56 Calculated Property
Cp,gas 580.24 J/mol×K 515.33 Calculated Property
Cp,gas 643.70 J/mol×K 596.11 Calculated Property
Cp,gas 698.87 J/mol×K 676.89 Calculated Property
Cp,gas 745.99 J/mol×K 757.67 Calculated Property
Cp,gas 785.29 J/mol×K 838.44 Calculated Property
Cp,gas 817.02 J/mol×K 919.22 Calculated Property
Cp,gas 841.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,2-Cyclohexanedicarboxylic acid, dodecyl 2-fluorophenyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl hexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl decyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl heptyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl hexyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, ethyl 2-fluorophenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl isobutyl ester.

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 2-fluorophenyl ester.

Sources

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