Chemical Properties of trans-3-(Trifluoromethyl)cinnamic acid, octyl ester

trans-3-(Trifluoromethyl)cinnamic acid, octyl ester

InChI
InChI=1S/C18H23F3O2/c1-2-3-4-5-6-7-13-23-17(22)12-11-15-9-8-10-16(14-15)18(19,20)21/h8-12,14H,2-7,13H2,1H3/b12-11+
InChI Key
PUJCNFSVCZJTQA-VAWYXSNFSA-N
Formula
C18H23F3O2
SMILES
CCCCCCCCOC(=O)C=Cc1cccc(C(F)(F)F)c1
Molecular Weight1
328.37
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Physical Properties

Property Value Unit Source
ΔfusH° 42.42 kJ/mol Joback Calculated Property
IE 9.15 eV Relay (1.0) Calculated Property
log10WS -6.31 Relay (1.0) Calculated Property
logPoct/wat 5.622 Crippen Calculated Property
McVol 249.170 ml/mol McGowan Calculated Property
Pc 1382.99 kPa Joback Calculated Property
Inp 1926.00 NIST
Tboil 598.19 K Relay (1.0) Calculated Property
Tfus 307.76 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 [706.60; 789.12] J/mol×K [700.06; 885.09] Show Hide
Cp,gas 706.60 J/mol×K 700.06 Joback Calculated Property
Cp,gas 722.62 J/mol×K 730.90 Joback Calculated Property
Cp,gas 737.66 J/mol×K 761.74 Joback Calculated Property
Cp,gas 751.78 J/mol×K 792.57 Joback Calculated Property
Cp,gas 765.03 J/mol×K 823.41 Joback Calculated Property
Cp,gas 777.46 J/mol×K 854.25 Joback Calculated Property
Cp,gas 789.12 J/mol×K 885.09 Joback Calculated Property

Similar Compounds

trans-3-(Trifluoromethyl)cinnamic acid, octadecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, tridecyl ester. trans-(3-Trifluoromethyl)cinnamin acid, heptadecyl ester. trans-(3-Trifluoromethyl)cinnamic acid, nonyl ester. trans-3-(Trifluoromethyl)cinnamic acid, heptyl 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)cinnamic acid, octyl ester.

Sources

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