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

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

InChI
InChI=1S/C25H37FO4/c1-2-3-4-5-6-7-8-9-14-19-29-24(27)20-15-10-11-16-21(20)25(28)30-23-18-13-12-17-22(23)26/h12-13,17-18,20-21H,2-11,14-16,19H2,1H3
InChI Key
ODKBUQDUYAWVPP-UHFFFAOYSA-N
Formula
C25H37FO4
SMILES
CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1F
Molecular Weight1
420.56
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Physical Properties

Property Value Unit Source
ΔfusH° 58.88 kJ/mol Joback Calculated Property
log10WS -6.76 Relay (1.0) Calculated Property
logPoct/wat 6.612 Crippen Calculated Property
McVol 345.140 ml/mol McGowan Calculated Property
Pc 998.28 kPa Joback Calculated Property
Inp 2931.00 NIST
Tboil 668.92 K Relay (1.0) Calculated Property
Tfus 328.30 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [486.14; 1202.56] 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-4.22000e+01
Coefficient B2.23822e+00
Coefficient C-1.15316e-03
Coefficient D1.59700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 486.14 J/mol×K 273.00 Calculated Property
Cp,gas 612.38 J/mol×K 353.78 Calculated Property
Cp,gas 725.78 J/mol×K 434.56 Calculated Property
Cp,gas 826.84 J/mol×K 515.33 Calculated Property
Cp,gas 916.08 J/mol×K 596.11 Calculated Property
Cp,gas 994.00 J/mol×K 676.89 Calculated Property
Cp,gas 1061.10 J/mol×K 757.67 Calculated Property
Cp,gas 1117.89 J/mol×K 838.44 Calculated Property
Cp,gas 1164.88 J/mol×K 919.22 Calculated Property
Cp,gas 1202.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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