Chemical Properties of Sebacic acid, 3,5-difluorophenyl isobutyl ester

Sebacic acid, 3,5-difluorophenyl isobutyl ester

InChI
InChI=1S/C20H28F2O4/c1-15(2)14-25-19(23)9-7-5-3-4-6-8-10-20(24)26-18-12-16(21)11-17(22)13-18/h11-13,15H,3-10,14H2,1-2H3
InChI Key
DBCSXXJYJFDXFL-UHFFFAOYSA-N
Formula
C20H28F2O4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc(F)cc(F)c1
Molecular Weight1
370.43
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Physical Properties

Property Value Unit Source
ΔfH°gas -1231.01 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 52.19 kJ/mol Joback Calculated Property
ΔvapH° 99.72 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.190 Crippen Calculated Property
McVol 287.320 ml/mol McGowan Calculated Property
Pc 1181.71 kPa Joback Calculated Property
Inp [2399.00; 2399.00]   Show Hide
Inp 2399.00 NIST
Inp 2399.00 NIST
Tboil 624.45 K Relay (1.0) Calculated Property
Tc 815.96 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 [879.22; 956.79] J/mol×K [808.38; 997.88] Show Hide
Cp,gas 879.22 J/mol×K 808.38 Joback Calculated Property
Cp,gas 894.88 J/mol×K 839.96 Joback Calculated Property
Cp,gas 909.41 J/mol×K 871.55 Joback Calculated Property
Cp,gas 922.85 J/mol×K 903.13 Joback Calculated Property
Cp,gas 935.22 J/mol×K 934.71 Joback Calculated Property
Cp,gas 946.52 J/mol×K 966.30 Joback Calculated Property
Cp,gas 956.79 J/mol×K 997.88 Joback Calculated Property

Similar Compounds

Sebacic acid, 3,5-difluorophenyl propyl ester. Sebacic acid, butyl 3,5-difluorophenyl ester. Sebacic acid, 3-fluorophenyl isobutyl ester. Glutaric acid, 3,5-difluorophenyl isobutyl ester. Sebacic acid, 3,5-difluorophenyl pentyl ester. Sebacic acid, 3,5-difluorophenyl octyl ester. Sebacic acid, 3,5-difluorophenyl tetradecyl ester. Sebacic acid, 3,5-difluorophenyl heptyl ester. Sebacic acid, 3,5-difluorophenyl pentadecyl ester. Sebacic acid, 3,5-difluorophenyl hexyl ester. Sebacic acid, 3,5-difluorophenyl nonyl ester. Sebacic acid, decyl 3,5-difluorophenyl ester. Sebacic acid, 3,5-difluorophenyl dodecyl ester. Sebacic acid, 3,5-difluorophenyl tridecyl ester. Sebacic acid, 3,5-difluorophenyl undecyl ester.

Find more compounds similar to Sebacic acid, 3,5-difluorophenyl isobutyl ester.

Sources

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