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

Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylphenyl ester

InChI
InChI=1S/C15H17F3O4/c1-10-6-3-4-7-12(10)22-14(20)9-5-8-13(19)21-11(2)15(16,17)18/h3-4,6-7,11H,5,8-9H2,1-2H3
InChI Key
OMIFYHLRJZVSHY-UHFFFAOYSA-N
Formula
C15H17F3O4
SMILES
Cc1ccccc1OC(=O)CCCC(=O)OC(C)C(F)(F)F
Molecular Weight1
318.29
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Physical Properties

Property Value Unit Source
ΔfusH° 35.30 kJ/mol Joback Calculated Property
IE 8.83 eV Relay (1.0) Calculated Property
logPoct/wat 3.565 Crippen Calculated Property
McVol 218.640 ml/mol McGowan Calculated Property
Inp [1717.00; 1717.00]   Show Hide
Inp 1717.00 NIST
Inp 1717.00 NIST
Tboil 565.53 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [324.48; 711.06] 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 A1.25830e+01
Coefficient B1.34794e+00
Coefficient C-7.91360e-04
Coefficient D1.41900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.48 J/mol×K 273.00 Calculated Property
Cp,gas 396.69 J/mol×K 353.78 Calculated Property
Cp,gas 460.54 J/mol×K 434.56 Calculated Property
Cp,gas 516.48 J/mol×K 515.33 Calculated Property
Cp,gas 564.95 J/mol×K 596.11 Calculated Property
Cp,gas 606.41 J/mol×K 676.89 Calculated Property
Cp,gas 641.30 J/mol×K 757.67 Calculated Property
Cp,gas 670.08 J/mol×K 838.44 Calculated Property
Cp,gas 693.18 J/mol×K 919.22 Calculated Property
Cp,gas 711.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,3-dimethylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methyl-4-chlorophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-formylphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-ethylphenyl ester. Glutaric acid, but-3-yn-2-yl 2-methylphenyl ester. Glutaric acid, ethyl 2-methylphenyl ester. Glutaric acid, 3-methylbut-2-yl 2-methylphenyl ester. Glutaric acid, 2-methylphenyl propyl ester. Glutaric acid, butyl 2-methylphenyl ester. Glutaric acid, isobutyl 2-methylphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 4-chloro-2-methylphenyl ester. Glutaric acid, 2-methylphenyl pentyl ester. Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-methylphenyl ester.

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

Sources

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