Chemical Properties of Glutaric acid, isobutyl 2,3,6-trifluorobenzyl ester

Glutaric acid, isobutyl 2,3,6-trifluorobenzyl ester

InChI
InChI=1S/C16H19F3O4/c1-10(2)8-22-14(20)4-3-5-15(21)23-9-11-12(17)6-7-13(18)16(11)19/h6-7,10H,3-5,8-9H2,1-2H3
InChI Key
UAAGQZDKILSUGC-UHFFFAOYSA-N
Formula
C16H19F3O4
SMILES
CC(C)COC(=O)CCCC(=O)OCc1c(F)ccc(F)c1F
Molecular Weight1
332.32
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Physical Properties

Property Value Unit Source
ΔfH°gas -1282.93 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.52 kJ/mol Joback Calculated Property
ΔvapH° 87.74 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 2002.00 NIST
Tboil 594.61 K Relay (1.0) Calculated Property
Tc 771.36 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

Sebacic acid, isobutyl 2,3,6-trifluorobenzyl ester. Glutaric acid, propyl 2,3,6-trifluorobenzyl ester. Succinic acid, isobutyl 2,3,6-trifluorobenzyl ester. Glutaric acid, 2,5-difluorobenzyl isobutyl ester. Glutaric acid, butyl 2,3,6-trifluorobenzyl ester. Glutaric acid, 2,4,5-trifluorobenzyl isobutyl ester. Glutaric acid, pentyl 2,3,6-trifluorobenzyl ester. Glutaric acid, ethyl 2,3,6-trifluorobenzyl ester. Sebacic acid, propyl 2,3,6-trifluorobenzyl ester. Glutaric acid, isobutyl 2,3,4,5-tetrafluorobenzyl ester. Glutaric acid, heptyl 2,3,6-trifluorobenzyl ester. Glutaric acid, hexyl 2,3,6-trifluorobenzyl ester. Glutaric acid, tridecyl 2,3,6-trifluorobenzyl ester. Glutaric acid, 2,3,6-trifluorobenzyl undecyl ester. Glutaric acid, heptadecyl 2,3,6-trifluorobenzyl ester.

Find more compounds similar to Glutaric acid, isobutyl 2,3,6-trifluorobenzyl ester.

Sources

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