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

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

InChI
InChI=1S/C17H21F3O5/c1-11(2)23-13-7-4-5-8-14(13)25-16(22)10-6-9-15(21)24-12(3)17(18,19)20/h4-5,7-8,11-12H,6,9-10H2,1-3H3
InChI Key
HKNXHMUKCXMFSU-UHFFFAOYSA-N
Formula
C17H21F3O5
SMILES
CC(C)Oc1ccccc1OC(=O)CCCC(=O)OC(C)C(F)(F)F
Molecular Weight1
362.34
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Physical Properties

Property Value Unit Source
ΔfusH° 38.14 kJ/mol Joback Calculated Property
log10WS -3.56 Relay (1.0) Calculated Property
logPoct/wat 4.044 Crippen Calculated Property
McVol 252.690 ml/mol McGowan Calculated Property
Inp [1902.00; 1902.00]   Show Hide
Inp 1902.00 NIST
Inp 1902.00 NIST
Tfus 321.87 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [382.00; 833.28] 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 A3.45830e+01
Coefficient B1.48066e+00
Coefficient C-7.92360e-04
Coefficient D1.10400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 382.00 J/mol×K 273.00 Calculated Property
Cp,gas 464.13 J/mol×K 353.78 Calculated Property
Cp,gas 537.44 J/mol×K 434.56 Calculated Property
Cp,gas 602.30 J/mol×K 515.33 Calculated Property
Cp,gas 659.04 J/mol×K 596.11 Calculated Property
Cp,gas 708.02 J/mol×K 676.89 Calculated Property
Cp,gas 749.59 J/mol×K 757.67 Calculated Property
Cp,gas 784.09 J/mol×K 838.44 Calculated Property
Cp,gas 811.87 J/mol×K 919.22 Calculated Property
Cp,gas 833.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methoxyphenyl ester. Glutaric acid, but-3-yn-2-yl 2-isopropoxyphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,6-dimethoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-isopropoxyphenyl ester. Glutaric acid, ethyl 2-isopropoxyphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-chloro-2-methoxyphenyl ester. Glutaric acid, 2-isopropoxyphenyl propyl ester. Glutaric acid, 3-methylbut-2-yl 2-isopropoxyphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 5-methyl-2-methoxybenzyl ester. Glutaric acid, butyl 2-isopropoxyphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-bromo-2-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-isopropoxyphenyl ester. Glutaric acid, isobutyl 2-isopropoxyphenyl ester. Glutaric acid, 2-isopropoxyphenyl pentyl ester. Glutaric acid, 2,2-dichloroethyl 2-isopropoxyphenyl ester.

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

Sources

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