Chemical Properties of «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester

«beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester

InChI
InChI=1S/C26H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-33-23(31)18-19-30-26(32)21-16-17-22(27)25(29)24(21)28/h16-17H,2-15,18-20H2,1H3,(H,30,32)
InChI Key
UWHRJZOHRBFUBE-UHFFFAOYSA-N
Formula
C26H40F3NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
471.60
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Physical Properties

Property Value Unit Source
ΔfusH° 76.28 kJ/mol Joback Calculated Property
ΔvapH° 134.87 kJ/mol Relay (1.0) Calculated Property
log10WS -8.03 Relay (1.0) Calculated Property
logPoct/wat 7.248 Crippen Calculated Property
McVol 377.740 ml/mol McGowan Calculated Property
Pc 824.79 kPa Joback Calculated Property
Inp [3483.00; 3483.00]   Show Hide
Inp 3483.00 NIST
Inp 3483.00 NIST
Tboil 687.45 K Relay (1.0) Calculated Property
Tfus 343.49 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 [565.48; 1288.28] 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 A3.80770e+01
Coefficient B2.24522e+00
Coefficient C-1.20518e-03
Coefficient D2.10160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 565.48 J/mol×K 273.00 Calculated Property
Cp,gas 690.85 J/mol×K 353.78 Calculated Property
Cp,gas 803.41 J/mol×K 434.56 Calculated Property
Cp,gas 903.82 J/mol×K 515.33 Calculated Property
Cp,gas 992.74 J/mol×K 596.11 Calculated Property
Cp,gas 1070.83 J/mol×K 676.89 Calculated Property
Cp,gas 1138.77 J/mol×K 757.67 Calculated Property
Cp,gas 1197.21 J/mol×K 838.44 Calculated Property
Cp,gas 1246.83 J/mol×K 919.22 Calculated Property
Cp,gas 1288.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, dodecyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, decyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, octyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, butyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, octyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, heptyl ester.

Find more compounds similar to «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester.

Sources

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