Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4-dimethylpent-3-yl ester

Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4-dimethylpent-3-yl ester

InChI
InChI=1S/C15H25F3O4/c1-9(2)14(10(3)4)22-13(20)8-6-7-12(19)21-11(5)15(16,17)18/h9-11,14H,6-8H2,1-5H3
InChI Key
KGNIRPANTVALEA-UHFFFAOYSA-N
Formula
C15H25F3O4
SMILES
CC(C)C(OC(=O)CCCC(=O)OC(C)C(F)(F)F)C(C)C
Molecular Weight1
326.35
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Physical Properties

Property Value Unit Source
ΔfH°gas -1637.67 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.08 kJ/mol Joback Calculated Property
ΔvapH° 72.28 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.875 Crippen Calculated Property
McVol 242.400 ml/mol McGowan Calculated Property
Inp [1492.00; 1492.00]   Show Hide
Inp 1492.00 NIST
Inp 1492.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [378.24; 834.24] 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 A2.71430e+01
Coefficient B1.50410e+00
Coefficient C-8.36800e-04
Coefficient D1.39800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 378.24 J/mol×K 273.00 Calculated Property
Cp,gas 460.72 J/mol×K 353.78 Calculated Property
Cp,gas 534.21 J/mol×K 434.56 Calculated Property
Cp,gas 599.16 J/mol×K 515.33 Calculated Property
Cp,gas 656.01 J/mol×K 596.11 Calculated Property
Cp,gas 705.20 J/mol×K 676.89 Calculated Property
Cp,gas 747.18 J/mol×K 757.67 Calculated Property
Cp,gas 782.39 J/mol×K 838.44 Calculated Property
Cp,gas 811.26 J/mol×K 919.22 Calculated Property
Cp,gas 834.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylpent-3-yl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylhex-3-yl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylbut-2-yl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2,4-dimethylpent-3-yl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylpent-3-yl ester. Glutaric acid, 3-methylbut-2-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, 2-methylpent-3-yl isopropyl ester. Glutaric acid, di(2,4-dimethylpent-3-yl) ester. Glutaric acid, 3-methylbut-2-yl 2-methylpent-3-yl ester. Glutaric acid, 2-methylpent-3-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, 2,4-dimethylpent-3-yl ethyl ester. Glutaric acid, 2,4-dimethylpent-3-yl propyl ester. Glutaric acid, ethyl 2-methylpent-3-yl ester. Glutaric acid, 2,4-dimethylpent-3-yl isobutyl ester. Glutaric acid, 2-methylpent-3-yl 2-fluoroethyl ester.

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4-dimethylpent-3-yl ester.

Sources

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