Chemical Properties of Succinic acid, isobutyl 2-(trifluoromethyl)benzyl ester

Succinic acid, isobutyl 2-(trifluoromethyl)benzyl ester

InChI
InChI=1S/C16H19F3O4/c1-11(2)9-22-14(20)7-8-15(21)23-10-12-5-3-4-6-13(12)16(17,18)19/h3-6,11H,7-10H2,1-2H3
InChI Key
JGCUCVAGRSZHCG-UHFFFAOYSA-N
Formula
C16H19F3O4
SMILES
CC(C)COC(=O)CCC(=O)OCc1ccccc1C(F)(F)F
Molecular Weight1
332.31
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Physical Properties

Property Value Unit Source
ΔfH°gas -1393.41 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.89 kJ/mol Joback Calculated Property
ΔvapH° 81.40 kJ/mol Relay (1.0) Calculated Property
log10WS -4.01 Relay (1.0) Calculated Property
logPoct/wat 3.728 Crippen Calculated Property
McVol 232.730 ml/mol McGowan Calculated Property
Pc 1554.90 kPa Joback Calculated Property
Inp [1875.00; 1875.00]   Show Hide
Inp 1875.00 NIST
Inp 1875.00 NIST
Tboil 583.50 K Relay (1.0) Calculated Property
Tc 760.89 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 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 [663.87; 736.33] J/mol×K [707.92; 896.46] Show Hide
Cp,gas 663.87 J/mol×K 707.92 Joback Calculated Property
Cp,gas 678.34 J/mol×K 739.34 Joback Calculated Property
Cp,gas 691.82 J/mol×K 770.77 Joback Calculated Property
Cp,gas 704.33 J/mol×K 802.19 Joback Calculated Property
Cp,gas 715.90 J/mol×K 833.62 Joback Calculated Property
Cp,gas 726.55 J/mol×K 865.04 Joback Calculated Property
Cp,gas 736.33 J/mol×K 896.46 Joback Calculated Property

Similar Compounds

Succinic acid, propyl 2-(trifluoromethyl)benzyl ester. Glutaric acid, isobutyl 2-(trifluoromethyl)benzyl ester. Succinic acid, butyl 2-(trifluoromethyl)benzyl ester. Succinic acid, ethyl 2-(trifluoromethyl)benzyl ester. Succinic acid, isobutyl 2-methylbenzyl ester. Succinic acid, pentyl 2-(trifluoromethyl)benzyl ester. Succinic acid, dodecyl 2-(trifluoromethyl)benzyl ester. Succinic acid, tridecyl 2-(trifluoromethyl)benzyl ester. Succinic acid, nonyl 2-(trifluoromethyl)benzyl ester. Succinic acid, pentadecyl 2-(trifluoromethyl)benzyl ester. Succinic acid, hexyl 2-(trifluoromethyl)benzyl ester. Succinic acid, tetradecyl 2-(trifluoromethyl)benzyl ester. Succinic acid, 2-(trifluoromethyl)benzyl undecyl ester. Succinic acid, hexadecyl 2-(trifluoromethyl)benzyl ester. Succinic acid, octyl 2-(trifluoromethyl)benzyl ester.

Find more compounds similar to Succinic acid, isobutyl 2-(trifluoromethyl)benzyl ester.

Sources

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