Chemical Properties of trans-(3-Trifluoromethyl)cinnamin acid, heptadecyl ester

trans-(3-Trifluoromethyl)cinnamin acid, heptadecyl ester

InChI
InChI=1S/C27H41F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-26(31)21-20-24-18-17-19-25(23-24)27(28,29)30/h17-21,23H,2-16,22H2,1H3/b21-20+
InChI Key
PJHBINDYCZVCPL-QZQOTICOSA-N
Formula
C27H41F3O2
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C=Cc1cccc(C(F)(F)F)c1
Molecular Weight1
454.61
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Physical Properties

Property Value Unit Source
ΔfusH° 65.73 kJ/mol Joback Calculated Property
IE 9.45 eV Relay (1.0) Calculated Property
log10WS -8.89 Relay (1.0) Calculated Property
logPoct/wat 9.133 Crippen Calculated Property
McVol 375.980 ml/mol McGowan Calculated Property
Pc 792.15 kPa Joback Calculated Property
Inp [2706.90; 2706.90]   Show Hide
Inp 2706.90 NIST
Inp 2706.90 NIST
Tboil 676.73 K Relay (1.0) Calculated Property
Tfus 327.06 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [1240.82; 1339.30] J/mol×K [905.98; 1109.29] Show Hide
Cp,gas 1240.82 J/mol×K 905.98 Joback Calculated Property
Cp,gas 1259.92 J/mol×K 939.87 Joback Calculated Property
Cp,gas 1277.82 J/mol×K 973.75 Joback Calculated Property
Cp,gas 1294.62 J/mol×K 1007.64 Joback Calculated Property
Cp,gas 1310.41 J/mol×K 1041.52 Joback Calculated Property
Cp,gas 1325.27 J/mol×K 1075.41 Joback Calculated Property
Cp,gas 1339.30 J/mol×K 1109.29 Joback Calculated Property

Similar Compounds

trans-3-(Trifluoromethyl)cinnamic acid, octadecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, tridecyl ester. trans-(3-Trifluoromethyl)cinnamic acid, nonyl ester. trans-3-(Trifluoromethyl)cinnamic acid, heptyl ester. trans-3-(Trifluoromethyl)cinnamic acid, octyl ester. trans-3-(Trifluoromethyl)cinnamic acid, pentadecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, tetradecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, decyl ester. trans-(3-Trifluoromethyl)cinnamin acid, undecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, hexadecyl ester. Trans-3-(trifluoromethyl)cinnamic acid, hexyl ester. trans-3-(Trifluoromethyl)cinnamic acid, pentyl ester. trans-3-(Trifluoromethyl)cinnamic acid, butyl ester. trans-(3-trifluoromethyl)cinnamin acid, dodec-9-ynyl ester. trans-3-(Trifluoromethyl)cinnamic acid, undec-10-enyl ester.

Find more compounds similar to trans-(3-Trifluoromethyl)cinnamin acid, heptadecyl ester.

Sources

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