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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [495.27; 1141.05] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.22670e+01
Coefficient B2.20502e+00
Coefficient C-1.34786e-03
Coefficient D2.96160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 495.27 J/mol×K 273.00 Calculated Property
Cp,gas 612.24 J/mol×K 353.78 Calculated Property
Cp,gas 715.71 J/mol×K 434.56 Calculated Property
Cp,gas 806.64 J/mol×K 515.33 Calculated Property
Cp,gas 885.94 J/mol×K 596.11 Calculated Property
Cp,gas 954.58 J/mol×K 676.89 Calculated Property
Cp,gas 1013.47 J/mol×K 757.67 Calculated Property
Cp,gas 1063.55 J/mol×K 838.44 Calculated Property
Cp,gas 1105.77 J/mol×K 919.22 Calculated Property
Cp,gas 1141.05 J/mol×K 1000.00 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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