Chemical Properties of Succinic acid, 4-fluorophenethyl isobutyl ester

Succinic acid, 4-fluorophenethyl isobutyl ester

InChI
InChI=1S/C16H21FO4/c1-12(2)11-21-16(19)8-7-15(18)20-10-9-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3
InChI Key
PURGHIDVFFXMQI-UHFFFAOYSA-N
Formula
C16H21FO4
SMILES
CC(C)COC(=O)CCC(=O)OCCc1ccc(F)cc1
Molecular Weight1
296.33
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Physical Properties

Property Value Unit Source
ΔfH°gas -968.87 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.14 kJ/mol Joback Calculated Property
ΔvapH° 91.43 kJ/mol Relay (1.0) Calculated Property
IE 8.79 eV Relay (1.0) Calculated Property
logPoct/wat 2.891 Crippen Calculated Property
McVol 229.190 ml/mol McGowan Calculated Property
Pc 1645.76 kPa Joback Calculated Property
Inp [1999.00; 1999.00]   Show Hide
Inp 1999.00 NIST
Inp 1999.00 NIST
Tboil 608.88 K Relay (1.0) Calculated Property
Tc 783.02 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 [645.75; 722.29] J/mol×K [712.61; 906.30] Show Hide
Cp,gas 645.75 J/mol×K 712.61 Joback Calculated Property
Cp,gas 660.98 J/mol×K 744.89 Joback Calculated Property
Cp,gas 675.20 J/mol×K 777.17 Joback Calculated Property
Cp,gas 688.43 J/mol×K 809.45 Joback Calculated Property
Cp,gas 700.67 J/mol×K 841.74 Joback Calculated Property
Cp,gas 711.96 J/mol×K 874.02 Joback Calculated Property
Cp,gas 722.29 J/mol×K 906.30 Joback Calculated Property

Similar Compounds

Succinic acid, 4-fluorophenethyl propyl ester. Succinic acid, butyl 4-fluorophenethyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl isobutyl ester. Succinic acid, di(4-fluorophenethyl) ester. Succinic acid, ethyl 4-fluorophenethyl ester. Succinic acid, 4-bromophenethyl isobutyl ester. Succinic acid, 4-chlorophenethyl isobutyl ester. Succinic acid, 4-fluorophenethyl pentyl ester. Succinic acid, phenethyl 2-methylbutyl ester. Succinic acid, 4-fluorophenethyl hexyl ester. Succinic acid, decyl 4-fluorophenethyl ester. Succinic acid, 4-fluorophenethyl heptadecyl ester. Succinic acid, 4-fluorophenethyl octyl ester. Succinic acid, 4-fluorophenethyl heptyl ester. Succinic acid, 4-fluorophenethyl hexadecyl ester.

Find more compounds similar to Succinic acid, 4-fluorophenethyl isobutyl ester.

Sources

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