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

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

InChI
InChI=1S/C21H30F3NO3/c1-2-3-4-5-6-7-8-9-10-15-28-18(26)13-14-25-21(27)16-11-12-17(22)20(24)19(16)23/h11-12H,2-10,13-15H2,1H3,(H,25,27)
InChI Key
BHVIYNPVUKSNSL-UHFFFAOYSA-N
Formula
C21H30F3NO3
SMILES
CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
401.46
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Physical Properties

Property Value Unit Source
ΔfusH° 63.33 kJ/mol Joback Calculated Property
ΔvapH° 115.16 kJ/mol Relay (1.0) Calculated Property
log10WS -6.69 Relay (1.0) Calculated Property
logPoct/wat 5.298 Crippen Calculated Property
McVol 307.290 ml/mol McGowan Calculated Property
Pc 1109.63 kPa Joback Calculated Property
Inp 2663.00 NIST
Tboil 652.39 K Relay (1.0) Calculated Property
Tfus 333.10 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 [459.41; 1030.32] 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 A4.26220e+01
Coefficient B1.77022e+00
Coefficient C-9.33180e-04
Coefficient D1.50660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 459.41 J/mol×K 273.00 Calculated Property
Cp,gas 558.76 J/mol×K 353.78 Calculated Property
Cp,gas 648.02 J/mol×K 434.56 Calculated Property
Cp,gas 727.67 J/mol×K 515.33 Calculated Property
Cp,gas 798.18 J/mol×K 596.11 Calculated Property
Cp,gas 860.03 J/mol×K 676.89 Calculated Property
Cp,gas 913.69 J/mol×K 757.67 Calculated Property
Cp,gas 959.64 J/mol×K 838.44 Calculated Property
Cp,gas 998.36 J/mol×K 919.22 Calculated Property
Cp,gas 1030.32 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)-, tetradecyl 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)-, undecyl ester.

Sources

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