Chemical Properties of Sebacic acid, heptyl 1-phenyl-2,2,2-trifluoromethylethyl ester

Sebacic acid, heptyl 1-phenyl-2,2,2-trifluoromethylethyl ester

InChI
InChI=1S/C25H37F3O4/c1-2-3-4-9-15-20-31-22(29)18-13-7-5-6-8-14-19-23(30)32-24(25(26,27)28)21-16-11-10-12-17-21/h10-12,16-17,24H,2-9,13-15,18-20H2,1H3
InChI Key
FPHQCWAHZJCNHI-UHFFFAOYSA-N
Formula
C25H37F3O4
SMILES
CCCCCCCOC(=O)CCCCCCCCC(=O)OC(c1ccccc1)C(F)(F)F
Molecular Weight1
458.55
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Physical Properties

Property Value Unit Source
ΔfH°gas -1580.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 61.59 kJ/mol Joback Calculated Property
ΔvapH° 114.71 kJ/mol Relay (1.0) Calculated Property
log10WS -6.64 Relay (1.0) Calculated Property
logPoct/wat 7.468 Crippen Calculated Property
McVol 359.540 ml/mol McGowan Calculated Property
Pc 872.74 kPa Joback Calculated Property
Inp [2593.00; 2593.00]   Show Hide
Inp 2593.00 NIST
Inp 2593.00 NIST
Tboil 653.59 K Relay (1.0) Calculated Property
Tc 838.35 K Relay (1.0) Calculated Property
Tfus 300.55 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [534.07; 1230.01] 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-1.08060e+01
Coefficient B2.35742e+00
Coefficient C-1.40240e-03
Coefficient D2.85800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 534.07 J/mol×K 273.00 Calculated Property
Cp,gas 660.33 J/mol×K 353.78 Calculated Property
Cp,gas 772.25 J/mol×K 434.56 Calculated Property
Cp,gas 870.73 J/mol×K 515.33 Calculated Property
Cp,gas 956.68 J/mol×K 596.11 Calculated Property
Cp,gas 1030.99 J/mol×K 676.89 Calculated Property
Cp,gas 1094.58 J/mol×K 757.67 Calculated Property
Cp,gas 1148.34 J/mol×K 838.44 Calculated Property
Cp,gas 1193.19 J/mol×K 919.22 Calculated Property
Cp,gas 1230.01 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, decyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, hexadecyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, hexyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, 1-phenyl-2,2,2-trifluoromethylethyl tetradecyl ester. Sebacic acid, 1-phenyl-2,2,2-trifluoromethylethyl tridecyl ester. Sebacic acid, pentyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, pentadecyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, undecyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, octyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, 1-phenyl-2,2,2-trifluoromethylethyl dodecyl ester. Glutaric acid, heptadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, nonyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tetradecyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl undecyl ester. Glutaric acid, octyl 1-phenyl-2,2,2-trifluoroethyl ester.

Find more compounds similar to Sebacic acid, heptyl 1-phenyl-2,2,2-trifluoromethylethyl ester.

Sources

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