Chemical Properties of Succinic acid, isobutyl 4-trifluoromethylbenzyl ester

Succinic acid, isobutyl 4-trifluoromethylbenzyl ester

InChI
InChI=1S/C16H19F3O4/c1-11(2)9-22-14(20)7-8-15(21)23-10-12-3-5-13(6-4-12)16(17,18)19/h3-6,11H,7-10H2,1-2H3
InChI Key
JVXBYHMLKPYSKM-UHFFFAOYSA-N
Formula
C16H19F3O4
SMILES
CC(C)COC(=O)CCC(=O)OCc1ccc(C(F)(F)F)cc1
Molecular Weight1
332.32
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -1398.79 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.89 kJ/mol Joback Calculated Property
ΔvapH° 82.30 kJ/mol 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 [1871.00; 1871.00]   Show Hide
Inp 1871.00 NIST
Inp 1871.00 NIST
Tboil 581.05 K Relay (1.0) Calculated Property
Tc 762.30 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [345.69; 762.65] 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 A1.16740e+01
Coefficient B1.44294e+00
Coefficient C-8.45760e-04
Coefficient D1.53800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 345.69 J/mol×K 273.00 Calculated Property
Cp,gas 423.11 J/mol×K 353.78 Calculated Property
Cp,gas 491.62 J/mol×K 434.56 Calculated Property
Cp,gas 551.71 J/mol×K 515.33 Calculated Property
Cp,gas 603.87 J/mol×K 596.11 Calculated Property
Cp,gas 648.57 J/mol×K 676.89 Calculated Property
Cp,gas 686.32 J/mol×K 757.67 Calculated Property
Cp,gas 717.59 J/mol×K 838.44 Calculated Property
Cp,gas 742.87 J/mol×K 919.22 Calculated Property
Cp,gas 762.65 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, isobutyl 4-methylbenzyl ester. Succinic acid, propyl 4-trifluoromethylbenzyl ester. Glutaric acid, isobutyl 4-(trifluoromethyl)benzyl ester. Succinic acid, 4-(chloromethyl)benzyl isobutyl ester. Succinic acid, butyl 4-trifluoromethylbenzyl ester. Succinic acid, 4-iodobenzyl isobutyl ester. Succinic acid, 4-bromobenzyl isobutyl ester. Succinic acid, ethyl 4-trifluoromethylbenzyl ester. Succinic acid, 4-fluorobenzyl isobutyl ester. Succinic acid, isobutyl 3-methylbenzyl ester. Succinic acid, pentyl 4-trifluoromethylbenzyl ester. Succinic acid, 4-trifluoromethylbenzyl undecyl ester. Succinic acid, heptyl 4-trifluoromethylbenzyl ester. Succinic acid, nonyl 4-trifluoromethylbenzyl ester. Succinic acid, tridecyl 4-trifluoromethylbenzyl ester.

Find more compounds similar to Succinic acid, isobutyl 4-trifluoromethylbenzyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.