Chemical Properties of Sebacic acid, isobutyl 1-phenyl-2,2,2-trifluoromethylethyl ester

Sebacic acid, isobutyl 1-phenyl-2,2,2-trifluoromethylethyl ester

InChI
InChI=1S/C22H31F3O4/c1-17(2)16-28-19(26)14-10-5-3-4-6-11-15-20(27)29-21(22(23,24)25)18-12-8-7-9-13-18/h7-9,12-13,17,21H,3-6,10-11,14-16H2,1-2H3
InChI Key
KCCNIUVRWWHLML-UHFFFAOYSA-N
Formula
C22H31F3O4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)OC(c1ccccc1)C(F)(F)F
Molecular Weight1
416.47
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Physical Properties

Property Value Unit Source
ΔfH°gas -1543.80 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 50.29 kJ/mol Joback Calculated Property
ΔvapH° 102.60 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 6.153 Crippen Calculated Property
McVol 317.270 ml/mol McGowan Calculated Property
Inp [2304.00; 2304.00]   Show Hide
Inp 2304.00 NIST
Inp 2304.00 NIST
Tboil 629.07 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 [1007.23; 1086.44] J/mol×K [839.78; 1032.66] Show Hide
Cp,gas 1007.23 J/mol×K 839.78 Joback Calculated Property
Cp,gas 1023.31 J/mol×K 871.93 Joback Calculated Property
Cp,gas 1038.18 J/mol×K 904.07 Joback Calculated Property
Cp,gas 1051.87 J/mol×K 936.22 Joback Calculated Property
Cp,gas 1064.45 J/mol×K 968.37 Joback Calculated Property
Cp,gas 1075.96 J/mol×K 1000.52 Joback Calculated Property
Cp,gas 1086.44 J/mol×K 1032.66 Joback Calculated Property

Similar Compounds

Glutaric acid, isobutyl 1-phenyl-2,2,2-trifluoroethyl ester. Sebacic acid, 1-phenyl-2,2,2-trifluoromethylethyl propyl ester. Sebacic acid, butyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, heptyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, octyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, hexadecyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, 1-phenyl-2,2,2-trifluoromethylethyl tridecyl ester. Sebacic acid, pentadecyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, pentyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, decyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, hexyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, 1-phenyl-2,2,2-trifluoromethylethyl tetradecyl ester. Sebacic acid, 1-phenyl-2,2,2-trifluoromethylethyl dodecyl ester. Sebacic acid, undecyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tridecyl ester.

Find more compounds similar to Sebacic acid, isobutyl 1-phenyl-2,2,2-trifluoromethylethyl ester.

Sources

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