Chemical Properties of .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester

.beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester

InChI
InChI=1S/C23H34F3NO3/c1-2-3-4-5-6-7-8-9-10-11-17-30-21(28)15-16-27-22(29)19-13-12-14-20(18-19)23(24,25)26/h12-14,18H,2-11,15-17H2,1H3,(H,27,29)
InChI Key
IFQPWUYPEWAEOW-UHFFFAOYSA-N
Formula
C23H34F3NO3
SMILES
CCCCCCCCCCCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
429.52
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Physical Properties

Property Value Unit Source
ΔfusH° 61.87 kJ/mol Joback Calculated Property
ΔvapH° 119.18 kJ/mol Relay (1.0) Calculated Property
log10WS -6.74 Relay (1.0) Calculated Property
logPoct/wat 6.289 Crippen Calculated Property
McVol 335.470 ml/mol McGowan Calculated Property
Pc 1011.02 kPa Joback Calculated Property
Inp [2868.00; 2868.00]   Show Hide
Inp 2868.00 NIST
Inp 2868.00 NIST
Tboil 672.80 K Relay (1.0) Calculated Property
Tfus 333.11 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [1103.42; 1182.52] J/mol×K [914.34; 1119.45] Show Hide
Cp,gas 1103.42 J/mol×K 914.34 Joback Calculated Property
Cp,gas 1119.32 J/mol×K 948.53 Joback Calculated Property
Cp,gas 1134.04 J/mol×K 982.71 Joback Calculated Property
Cp,gas 1147.64 J/mol×K 1016.90 Joback Calculated Property
Cp,gas 1160.21 J/mol×K 1051.08 Joback Calculated Property
Cp,gas 1171.81 J/mol×K 1085.27 Joback Calculated Property
Cp,gas 1182.52 J/mol×K 1119.45 Joback Calculated Property

Similar Compounds

.beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, decyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, octyl ester. .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, heptyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, nonyl ester. .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, pentyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, butyl ester. «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, decyl ester. «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, octyl ester.

Find more compounds similar to .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester.

Sources

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