Chemical Properties of Glutaric acid, isobutyl 4-(trifluoromethyl)benzyl ester

Glutaric acid, isobutyl 4-(trifluoromethyl)benzyl ester

InChI
InChI=1S/C17H21F3O4/c1-12(2)10-23-15(21)4-3-5-16(22)24-11-13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,3-5,10-11H2,1-2H3
InChI Key
WISDHGZRSQMLAJ-UHFFFAOYSA-N
Formula
C17H21F3O4
SMILES
CC(C)COC(=O)CCCC(=O)OCc1ccc(C(F)(F)F)cc1
Molecular Weight1
346.34
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Physical Properties

Property Value Unit Source
ΔfH°gas -1422.57 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.48 kJ/mol Joback Calculated Property
ΔvapH° 84.77 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.118 Crippen Calculated Property
McVol 246.820 ml/mol McGowan Calculated Property
Pc 1443.54 kPa Joback Calculated Property
Inp 2165.00 NIST
Tboil 598.42 K Relay (1.0) Calculated Property
Tc 775.25 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [718.62; 792.38] J/mol×K [730.80; 918.61] Show Hide
Cp,gas 718.62 J/mol×K 730.80 Joback Calculated Property
Cp,gas 733.36 J/mol×K 762.10 Joback Calculated Property
Cp,gas 747.09 J/mol×K 793.40 Joback Calculated Property
Cp,gas 759.82 J/mol×K 824.71 Joback Calculated Property
Cp,gas 771.60 J/mol×K 856.01 Joback Calculated Property
Cp,gas 782.44 J/mol×K 887.31 Joback Calculated Property
Cp,gas 792.38 J/mol×K 918.61 Joback Calculated Property

Similar Compounds

Glutaric acid, propyl 4-(trifluoromethyl)benzyl ester. Succinic acid, isobutyl 4-trifluoromethylbenzyl ester. Glutaric acid, butyl 4-(trifluoromethyl)benzyl ester. Sebacic acid, isobutyl 4-methylbenzyl ester. Glutaric acid, pentyl 4-(trifluoromethyl)benzyl ester. Glutaric acid, hexyl 4-(trifluoromethyl)benzyl ester. Glutaric acid, 4-(trifluoromethyl)benzyl undecyl ester. Glutaric acid, heptyl 4-(trifluoromethyl)benzyl ester. Glutaric acid, decyl 4-(trifluoromethyl)benzyl ester. Glutaric acid, nonyl 4-(trifluoromethyl)benzyl ester. Glutaric acid, 4-bromobenzyl isobutyl ester. Glutaric acid, ethyl 4-(trifluoromethyl)benzyl ester. Glutaric acid, 4-chlorobenzyl isobutyl ester. Glutaric acid, 4-fluorobenzyl isobutyl ester. Sebacic acid, 4-iodobenzyl isobutyl ester.

Find more compounds similar to Glutaric acid, isobutyl 4-(trifluoromethyl)benzyl ester.

Sources

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