Chemical Properties of trans-3-Trifluoromethylcinnamic acid, hex-4-yn-3-yl ester

trans-3-Trifluoromethylcinnamic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C16H15F3O2/c1-3-6-14(4-2)21-15(20)10-9-12-7-5-8-13(11-12)16(17,18)19/h5,7-11,14H,4H2,1-2H3/b10-9+
InChI Key
CTKLGNPYFDQMQP-MDZDMXLPSA-N
Formula
C16H15F3O2
SMILES
CC#CC(CC)OC(=O)C=Cc1cccc(C(F)(F)F)c1
Molecular Weight1
296.28
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Physical Properties

Property Value Unit Source
ΔfusH° 36.84 kJ/mol Joback Calculated Property
IE 9.11 eV Relay (1.0) Calculated Property
logPoct/wat 4.064 Crippen Calculated Property
McVol 212.390 ml/mol McGowan Calculated Property
Inp [1784.00; 1784.00]   Show Hide
Inp 1784.00 NIST
Inp 1784.00 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 [555.99; 631.39] J/mol×K [662.86; 872.93] Show Hide
Cp,gas 555.99 J/mol×K 662.86 Joback Calculated Property
Cp,gas 571.02 J/mol×K 697.87 Joback Calculated Property
Cp,gas 584.98 J/mol×K 732.88 Joback Calculated Property
Cp,gas 597.94 J/mol×K 767.90 Joback Calculated Property
Cp,gas 609.95 J/mol×K 802.91 Joback Calculated Property
Cp,gas 621.08 J/mol×K 837.92 Joback Calculated Property
Cp,gas 631.39 J/mol×K 872.93 Joback Calculated Property

Similar Compounds

trans-3-Trifluoromethylcinnamic acid, 2-methyloct-5-yn-4-yl ester. trans-3-Trifluoromethylcinnamic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. trans-(3-Trifluoromethyl)cinnamic acid, cyclobutyl ester. trans-(3-Trifluoromethyl)cinnamin acid, 4-hexadecyl ester. trans-(3-trifluoromethyl)cinnamin acid, dodec-9-ynyl ester. trans-3-Trifluoromethylcinnamic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. trans-3-(Trifluoromethyl)cinnamic acid, butyl ester. trans-3-(Trifluoromethyl)cinnamic acid, pentyl ester. trans-3-Trifluoromethylcinnamic acid, but-3-yn-2-yl ester. trans-3-Trifluoromethylcinnamic acid, tridec-2-ynyl ester. trans-3-(Trifluoromethyl)cinnamic acid, pentadecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, hexadecyl ester. trans-(3-Trifluoromethyl)cinnamin acid, heptadecyl ester. trans-(3-Trifluoromethyl)cinnamin acid, undecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, tetradecyl ester.

Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, hex-4-yn-3-yl ester.

Sources

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