Chemical Properties of Glutaric acid, 2,4,5-trifluorobenzyl isobutyl ester

Glutaric acid, 2,4,5-trifluorobenzyl isobutyl ester

InChI
InChI=1S/C16H19F3O4/c1-10(2)8-22-15(20)4-3-5-16(21)23-9-11-6-13(18)14(19)7-12(11)17/h6-7,10H,3-5,8-9H2,1-2H3
InChI Key
VCZVXCOSUSSKAU-UHFFFAOYSA-N
Formula
C16H19F3O4
SMILES
CC(C)COC(=O)CCCC(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
332.32
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Physical Properties

Property Value Unit Source
ΔfH°gas -1297.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.52 kJ/mol Joback Calculated Property
ΔvapH° 86.92 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.517 Crippen Calculated Property
McVol 232.730 ml/mol McGowan Calculated Property
Pc 1496.51 kPa Joback Calculated Property
Inp [2201.00; 2201.00]   Show Hide
Inp 2201.00 NIST
Inp 2201.00 NIST
Tboil 588.19 K Relay (1.0) Calculated Property
Tc 767.55 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 [660.04; 730.57] J/mol×K [721.11; 904.64] Show Hide
Cp,gas 660.04 J/mol×K 721.11 Joback Calculated Property
Cp,gas 673.96 J/mol×K 751.70 Joback Calculated Property
Cp,gas 687.01 J/mol×K 782.29 Joback Calculated Property
Cp,gas 699.19 J/mol×K 812.88 Joback Calculated Property
Cp,gas 710.51 J/mol×K 843.46 Joback Calculated Property
Cp,gas 720.97 J/mol×K 874.05 Joback Calculated Property
Cp,gas 730.57 J/mol×K 904.64 Joback Calculated Property

Similar Compounds

Glutaric acid, 2,4,5-trifluorobenzyl propyl ester. Glutaric acid, isobutyl 2,3,4,5-tetrafluorobenzyl ester. Glutaric acid, 2,5-difluorobenzyl isobutyl ester. Succinic acid, isobutyl 2,4,5-trifluorobenzyl ester. Glutaric acid, butyl 2,4,5-trifluorobenzyl ester. Glutaric acid, 2,4,5-trifluorobenzyl pentyl ester. Glutaric acid, 2,4,5-trifluorobenzyl ethyl ester. Glutaric acid, 3,4-difluorobenzyl isobutyl ester. Glutaric acid, 2-fluorobenzyl isobutyl ester. Glutaric acid, isobutyl 2,3,6-trifluorobenzyl ester. Sebacic acid, 2,5-difluorobenzyl isobutyl ester. Glutaric acid, di(2,4,5-trifluorobenzyl) ester. Succinic acid, butyl 2,4,5-trifluorobenzyl ester. Glutaric acid, propyl 2,3,4,5-tetrafluorobenzyl ester. Glutaric acid, 2,5-difluorobenzyl propyl ester.

Find more compounds similar to Glutaric acid, 2,4,5-trifluorobenzyl isobutyl ester.

Sources

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