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

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

InChI
InChI=1S/C26H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-25(30)20-19-23-17-16-18-24(22-23)26(27,28)29/h16-20,22H,2-15,21H2,1H3/b20-19+
InChI Key
MQBGUHUKOSBORD-FMQUCBEESA-N
Formula
C26H39F3O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C=Cc1cccc(C(F)(F)F)c1
Molecular Weight1
440.58
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Physical Properties

Property Value Unit Source
ΔfusH° 63.14 kJ/mol Joback Calculated Property
IE 9.41 eV Relay (1.0) Calculated Property
log10WS -8.62 Relay (1.0) Calculated Property
logPoct/wat 8.743 Crippen Calculated Property
McVol 361.890 ml/mol McGowan Calculated Property
Pc 836.76 kPa Joback Calculated Property
Inp [2816.00; 2816.00]   Show Hide
Inp 2816.00 NIST
Inp 2816.00 NIST
Tboil 669.55 K Relay (1.0) Calculated Property
Tfus 325.21 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 [1178.44; 1274.51] J/mol×K [883.10; 1081.28] Show Hide
Cp,gas 1178.44 J/mol×K 883.10 Joback Calculated Property
Cp,gas 1197.05 J/mol×K 916.13 Joback Calculated Property
Cp,gas 1214.51 J/mol×K 949.16 Joback Calculated Property
Cp,gas 1230.91 J/mol×K 982.19 Joback Calculated Property
Cp,gas 1246.32 J/mol×K 1015.22 Joback Calculated Property
Cp,gas 1260.82 J/mol×K 1048.25 Joback Calculated Property
Cp,gas 1274.51 J/mol×K 1081.28 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, 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, 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, hexadecyl ester.

Sources

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