Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-methylpent-2-yl ester

Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-methylpent-2-yl ester

InChI
InChI=1S/C14H23F3O4/c1-9(2)8-10(3)20-12(18)6-5-7-13(19)21-11(4)14(15,16)17/h9-11H,5-8H2,1-4H3
InChI Key
BWIVGPZEKWPZHI-UHFFFAOYSA-N
Formula
C14H23F3O4
SMILES
CC(C)CC(C)OC(=O)CCCC(=O)OC(C)C(F)(F)F
Molecular Weight1
312.33
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Physical Properties

Property Value Unit Source
ΔfH°gas -1632.30 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.01 kJ/mol Joback Calculated Property
ΔvapH° 72.01 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.628 Crippen Calculated Property
McVol 228.310 ml/mol McGowan Calculated Property
Inp [1425.00; 1425.00]   Show Hide
Inp 1425.00 NIST
Inp 1425.00 NIST
Tboil 510.40 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [357.34; 782.11] 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 A2.97340e+01
Coefficient B1.40318e+00
Coefficient C-7.79200e-04
Coefficient D1.28400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 357.34 J/mol×K 273.00 Calculated Property
Cp,gas 434.31 J/mol×K 353.78 Calculated Property
Cp,gas 502.89 J/mol×K 434.56 Calculated Property
Cp,gas 563.48 J/mol×K 515.33 Calculated Property
Cp,gas 616.50 J/mol×K 596.11 Calculated Property
Cp,gas 662.34 J/mol×K 676.89 Calculated Property
Cp,gas 701.42 J/mol×K 757.67 Calculated Property
Cp,gas 734.13 J/mol×K 838.44 Calculated Property
Cp,gas 760.90 J/mol×K 919.22 Calculated Property
Cp,gas 782.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 1,1,1-trifluoroprop-2-yl 4-methylpent-2-yl ester. Glutaric acid, di(4-methylpent-2-yl) ester. Glutaric acid, 3,4-dimethylcyclohexyl 1,1,1-trifluoroprop-2-yl ester. Glutaric acid, ethyl 4-methylpent-2-yl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylhex-3-yl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-hexyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylpent-3-yl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl hept-4-yl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-heptyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-hexyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-octyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-decyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl cis-4-tert-butylcyclohexyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl trans-4-tert-butylcyclohexyl ester. Glutaric acid, butyl 4-methylpent-2-yl ester.

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-methylpent-2-yl ester.

Sources

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