Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 8-chlorooctyl ester

Glutaric acid, 1,1,1-trifluoroprop-2-yl 8-chlorooctyl ester

InChI
InChI=1S/C16H26ClF3O4/c1-13(16(18,19)20)24-15(22)10-8-9-14(21)23-12-7-5-3-2-4-6-11-17/h13H,2-12H2,1H3
InChI Key
FPMVLQWQZLNSLY-UHFFFAOYSA-N
Formula
C16H26ClF3O4
SMILES
CC(OC(=O)CCCC(=O)OCCCCCCCCCl)C(F)(F)F
Molecular Weight1
374.83
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Physical Properties

Property Value Unit Source
ΔfH°gas -1654.58 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.43 kJ/mol Joback Calculated Property
ΔvapH° 91.00 kJ/mol Relay (1.0) Calculated Property
log10WS -4.67 Relay (1.0) Calculated Property
logPoct/wat 4.773 Crippen Calculated Property
McVol 268.730 ml/mol McGowan Calculated Property
Inp [2043.00; 2043.00]   Show Hide
Inp 2043.00 NIST
Inp 2043.00 NIST
Tboil 577.52 K Relay (1.0) Calculated Property
Tfus 286.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [413.80; 892.49] 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 A4.41710e+01
Coefficient B1.58812e+00
Coefficient C-9.02000e-04
Coefficient D1.62200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 413.80 J/mol×K 273.00 Calculated Property
Cp,gas 500.30 J/mol×K 353.78 Calculated Property
Cp,gas 577.28 J/mol×K 434.56 Calculated Property
Cp,gas 645.24 J/mol×K 515.33 Calculated Property
Cp,gas 704.70 J/mol×K 596.11 Calculated Property
Cp,gas 756.18 J/mol×K 676.89 Calculated Property
Cp,gas 800.18 J/mol×K 757.67 Calculated Property
Cp,gas 837.23 J/mol×K 838.44 Calculated Property
Cp,gas 867.83 J/mol×K 919.22 Calculated Property
Cp,gas 892.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 1,1,1-trifluoroprop-2-yl 10-chlorodecyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 10-chlorodecyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl pentadecyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl tetradecyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl dodecyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl octadecyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl decyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl tridecyl ester. Succinic acid, 8-chlorooctyl 1-bromo-3,3,3-trifluoroprop-2-yl ester. Glutaric acid, 8-chlorooctyl 2,2,3,3,3-pentafluoropropyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl dodec-9-yn-1-yl ester. Glutaric acid, 3,3,4,4-tetrafluoropropyl 10-chlorodecyl ester. Glutaric acid, 2,2,3,3-tetrafluoropropyl 8-chlorooctyl ester. Glutaric acid, 10-chlorodecyl ethyl ester. Glutaric acid, 8-chlorooctyl ethyl ester.

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 8-chlorooctyl ester.

Sources

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