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

Succinic acid, 2,5-difluorobenzyl isobutyl ester

InChI
InChI=1S/C15H18F2O4/c1-10(2)8-20-14(18)5-6-15(19)21-9-11-7-12(16)3-4-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3
InChI Key
TUWPLUSDGUQYDZ-UHFFFAOYSA-N
Formula
C15H18F2O4
SMILES
CC(C)COC(=O)CCC(=O)OCc1cc(F)ccc1F
Molecular Weight1
300.30
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Physical Properties

Property Value Unit Source
ΔfH°gas -1105.56 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.24 kJ/mol Joback Calculated Property
ΔvapH° 85.37 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.987 Crippen Calculated Property
McVol 216.870 ml/mol McGowan Calculated Property
Pc 1694.90 kPa Joback Calculated Property
Inp [1870.00; 1870.00]   Show Hide
Inp 1870.00 NIST
Inp 1870.00 NIST
Tboil 581.60 K Relay (1.0) Calculated Property
Tc 768.26 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 [598.93; 670.72] J/mol×K [693.98; 883.28] Show Hide
Cp,gas 598.93 J/mol×K 693.98 Joback Calculated Property
Cp,gas 613.11 J/mol×K 725.53 Joback Calculated Property
Cp,gas 626.39 J/mol×K 757.08 Joback Calculated Property
Cp,gas 638.79 J/mol×K 788.63 Joback Calculated Property
Cp,gas 650.31 J/mol×K 820.18 Joback Calculated Property
Cp,gas 660.95 J/mol×K 851.73 Joback Calculated Property
Cp,gas 670.72 J/mol×K 883.28 Joback Calculated Property

Similar Compounds

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

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

Sources

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