Chemical Properties of Succinic acid, 3-fluorobenzyl isobutyl ester

Succinic acid, 3-fluorobenzyl isobutyl ester

InChI
InChI=1S/C15H19FO4/c1-11(2)9-19-14(17)6-7-15(18)20-10-12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3
InChI Key
DAESUBIWTYUADX-UHFFFAOYSA-N
Formula
C15H19FO4
SMILES
CC(C)COC(=O)CCC(=O)OCc1cccc(F)c1
Molecular Weight1
282.31
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Physical Properties

Property Value Unit Source
ΔfH°gas -933.93 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.55 kJ/mol Joback Calculated Property
ΔvapH° 83.53 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.848 Crippen Calculated Property
McVol 215.100 ml/mol McGowan Calculated Property
Pc 1781.84 kPa Joback Calculated Property
Inp [1889.00; 1889.00]   Show Hide
Inp 1889.00 NIST
Inp 1889.00 NIST
Tboil 580.49 K Relay (1.0) Calculated Property
Tc 772.34 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 [591.70; 666.78] J/mol×K [689.73; 885.03] Show Hide
Cp,gas 591.70 J/mol×K 689.73 Joback Calculated Property
Cp,gas 606.61 J/mol×K 722.28 Joback Calculated Property
Cp,gas 620.54 J/mol×K 754.83 Joback Calculated Property
Cp,gas 633.51 J/mol×K 787.38 Joback Calculated Property
Cp,gas 645.54 J/mol×K 819.93 Joback Calculated Property
Cp,gas 656.62 J/mol×K 852.48 Joback Calculated Property
Cp,gas 666.78 J/mol×K 885.03 Joback Calculated Property

Similar Compounds

Succinic acid, 3,4-difluorobenzyl isobutyl ester. Glutaric acid, 3-fluorobenzyl isobutyl ester. Succinic acid, 3-fluorobenzyl propyl ester. Succinic acid, 2,5-difluorobenzyl isobutyl ester. Succinic acid, 4-fluorobenzyl isobutyl ester. Succinic acid, butyl 3-fluorobenzyl ester. Succinic acid, ethyl 3-fluorobenzyl ester. Glutaric acid, 3,4-difluorobenzyl isobutyl ester. Succinic acid, 3-fluorobenzyl pentyl ester. Succinic acid, isobutyl 3,4,5-trifluorobenzyl ester. Succinic acid, 3,4-difluorobenzyl propyl ester. Succinic acid, 3-fluorobenzyl hexyl ester. Succinic acid, 3-fluorobenzyl pentadecyl ester. Succinic acid, 3-fluorobenzyl tetradecyl ester. Succinic acid, 3-fluorobenzyl undecyl ester.

Find more compounds similar to Succinic acid, 3-fluorobenzyl isobutyl ester.

Sources

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