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

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

InChI
InChI=1S/C26H39FO4/c1-2-3-4-5-6-7-8-9-10-15-20-30-25(28)21-16-11-12-17-22(21)26(29)31-24-19-14-13-18-23(24)27/h13-14,18-19,21-22H,2-12,15-17,20H2,1H3
InChI Key
LIPLJZNQHDOEQG-UHFFFAOYSA-N
Formula
C26H39FO4
SMILES
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1F
Molecular Weight1
434.58
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Physical Properties

Property Value Unit Source
ΔfusH° 61.47 kJ/mol Joback Calculated Property
log10WS -7.04 Relay (1.0) Calculated Property
logPoct/wat 7.002 Crippen Calculated Property
McVol 359.230 ml/mol McGowan Calculated Property
Pc 940.37 kPa Joback Calculated Property
Inp [3044.00; 3044.00]   Show Hide
Inp 3044.00 NIST
Inp 3044.00 NIST
Tboil 675.58 K Relay (1.0) Calculated Property
Tfus 330.16 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 [507.35; 1254.15] 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-4.31090e+01
Coefficient B2.33322e+00
Coefficient C-1.20756e-03
Coefficient D1.71600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 507.35 J/mol×K 273.00 Calculated Property
Cp,gas 638.79 J/mol×K 353.78 Calculated Property
Cp,gas 756.85 J/mol×K 434.56 Calculated Property
Cp,gas 862.07 J/mol×K 515.33 Calculated Property
Cp,gas 954.99 J/mol×K 596.11 Calculated Property
Cp,gas 1036.16 J/mol×K 676.89 Calculated Property
Cp,gas 1106.12 J/mol×K 757.67 Calculated Property
Cp,gas 1165.41 J/mol×K 838.44 Calculated Property
Cp,gas 1214.57 J/mol×K 919.22 Calculated Property
Cp,gas 1254.15 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, 2-fluorophenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl undecyl 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, dodecyl 2-fluorophenyl ester.

Sources

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