Chemical Properties of Glutaric acid, 2,5-difluorobenzyl isobutyl ester

Glutaric acid, 2,5-difluorobenzyl isobutyl ester

InChI
InChI=1S/C16H20F2O4/c1-11(2)9-21-15(19)4-3-5-16(20)22-10-12-8-13(17)6-7-14(12)18/h6-8,11H,3-5,9-10H2,1-2H3
InChI Key
PBNUUGPMJPYGJY-UHFFFAOYSA-N
Formula
C16H20F2O4
SMILES
CC(C)COC(=O)CCCC(=O)OCc1cc(F)ccc1F
Molecular Weight1
314.32
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Physical Properties

Property Value Unit Source
ΔfH°gas -1133.11 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.83 kJ/mol Joback Calculated Property
ΔvapH° 88.06 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.377 Crippen Calculated Property
McVol 230.960 ml/mol McGowan Calculated Property
Pc 1568.47 kPa Joback Calculated Property
Inp [1997.00; 1997.00]   Show Hide
Inp 1997.00 NIST
Inp 1997.00 NIST
Tboil 599.06 K Relay (1.0) Calculated Property
Tc 780.62 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 [652.92; 726.33] J/mol×K [716.86; 905.13] Show Hide
Cp,gas 652.92 J/mol×K 716.86 Joback Calculated Property
Cp,gas 667.46 J/mol×K 748.24 Joback Calculated Property
Cp,gas 681.07 J/mol×K 779.62 Joback Calculated Property
Cp,gas 693.75 J/mol×K 810.99 Joback Calculated Property
Cp,gas 705.51 J/mol×K 842.37 Joback Calculated Property
Cp,gas 716.37 J/mol×K 873.75 Joback Calculated Property
Cp,gas 726.33 J/mol×K 905.13 Joback Calculated Property

Similar Compounds

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

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

Sources

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