Chemical Properties of trans-3-Trifluoromethylcinnamic acid, tridec-2-ynyl ester

trans-3-Trifluoromethylcinnamic acid, tridec-2-ynyl ester

InChI
InChI=1S/C23H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-28-22(27)17-16-20-14-13-15-21(19-20)23(24,25)26/h13-17,19H,2-10,18H2,1H3/b17-16+
InChI Key
PEJDJMJWHWLNBE-WUKNDPDISA-N
Formula
C23H29F3O2
SMILES
CCCCCCCCCCC#CCOC(=O)C=Cc1cccc(C(F)(F)F)c1
Molecular Weight1
394.47
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Physical Properties

Property Value Unit Source
ΔfusH° 58.50 kJ/mol Joback Calculated Property
IE 9.04 eV Relay (1.0) Calculated Property
logPoct/wat 6.796 Crippen Calculated Property
McVol 311.020 ml/mol McGowan Calculated Property
Inp 2665.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [945.38; 1030.96] J/mol×K [823.46; 1020.67] Show Hide
Cp,gas 945.38 J/mol×K 823.46 Joback Calculated Property
Cp,gas 962.03 J/mol×K 856.33 Joback Calculated Property
Cp,gas 977.64 J/mol×K 889.20 Joback Calculated Property
Cp,gas 992.27 J/mol×K 922.06 Joback Calculated Property
Cp,gas 1005.99 J/mol×K 954.93 Joback Calculated Property
Cp,gas 1018.86 J/mol×K 987.80 Joback Calculated Property
Cp,gas 1030.96 J/mol×K 1020.67 Joback Calculated Property

Similar Compounds

trans-(3-trifluoromethyl)cinnamin acid, dodec-9-ynyl ester. trans-3-(Trifluoromethyl)cinnamic acid, tridecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, decyl 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, octadecyl ester. trans-(3-Trifluoromethyl)cinnamin acid, undecyl ester. trans-(3-Trifluoromethyl)cinnamic acid, nonyl ester. trans-3-(Trifluoromethyl)cinnamic acid, hexadecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, octyl ester. trans-(3-Trifluoromethyl)cinnamin acid, heptadecyl ester. trans-3-Trifluoromethylcinnamic acid, hex-4-yn-3-yl ester. Trans-3-(trifluoromethyl)cinnamic acid, hexyl ester. trans-3-Trifluoromethylcinnamic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, tridec-2-ynyl ester.

Sources

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