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

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

InChI
InChI=1S/C24H36F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-31-21(29)16-17-28-24(30)19-14-15-20(25)23(27)22(19)26/h14-15H,2-13,16-18H2,1H3,(H,28,30)
InChI Key
HZLZRITZTFPLQW-UHFFFAOYSA-N
Formula
C24H36F3NO3
SMILES
CCCCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
443.54
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Physical Properties

Property Value Unit Source
ΔfusH° 71.10 kJ/mol Joback Calculated Property
ΔvapH° 127.07 kJ/mol Relay (1.0) Calculated Property
log10WS -7.50 Relay (1.0) Calculated Property
logPoct/wat 6.468 Crippen Calculated Property
McVol 349.560 ml/mol McGowan Calculated Property
Pc 923.86 kPa Joback Calculated Property
Inp [3065.00; 3065.00]   Show Hide
Inp 3065.00 NIST
Inp 3065.00 NIST
Tboil 673.70 K Relay (1.0) Calculated Property
Tfus 339.47 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 [523.05; 1185.09] 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 A3.98950e+01
Coefficient B2.05522e+00
Coefficient C-1.09638e-03
Coefficient D1.86360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 523.05 J/mol×K 273.00 Calculated Property
Cp,gas 638.02 J/mol×K 353.78 Calculated Property
Cp,gas 741.26 J/mol×K 434.56 Calculated Property
Cp,gas 833.36 J/mol×K 515.33 Calculated Property
Cp,gas 914.91 J/mol×K 596.11 Calculated Property
Cp,gas 986.51 J/mol×K 676.89 Calculated Property
Cp,gas 1048.74 J/mol×K 757.67 Calculated Property
Cp,gas 1102.18 J/mol×K 838.44 Calculated Property
Cp,gas 1147.44 J/mol×K 919.22 Calculated Property
Cp,gas 1185.09 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)-, hexadecyl 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)-, 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)-, tetradecyl ester.

Sources

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