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

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

InChI
InChI=1S/C22H32F3NO3/c1-2-3-4-5-6-7-8-9-10-11-16-29-19(27)14-15-26-22(28)17-12-13-18(23)21(25)20(17)24/h12-13H,2-11,14-16H2,1H3,(H,26,28)
InChI Key
PAWDLTABFBISKR-UHFFFAOYSA-N
Formula
C22H32F3NO3
SMILES
CCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
415.49
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Physical Properties

Property Value Unit Source
ΔfusH° 65.92 kJ/mol Joback Calculated Property
ΔvapH° 119.17 kJ/mol Relay (1.0) Calculated Property
log10WS -6.96 Relay (1.0) Calculated Property
logPoct/wat 5.688 Crippen Calculated Property
McVol 321.380 ml/mol McGowan Calculated Property
Pc 1041.93 kPa Joback Calculated Property
Inp 2776.00 NIST
Tboil 659.74 K Relay (1.0) Calculated Property
Tfus 335.36 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 [480.62; 1081.91] 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 A4.17130e+01
Coefficient B1.86522e+00
Coefficient C-9.87580e-04
Coefficient D1.62560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 480.62 J/mol×K 273.00 Calculated Property
Cp,gas 585.18 J/mol×K 353.78 Calculated Property
Cp,gas 679.10 J/mol×K 434.56 Calculated Property
Cp,gas 762.90 J/mol×K 515.33 Calculated Property
Cp,gas 837.09 J/mol×K 596.11 Calculated Property
Cp,gas 902.19 J/mol×K 676.89 Calculated Property
Cp,gas 958.70 J/mol×K 757.67 Calculated Property
Cp,gas 1007.15 J/mol×K 838.44 Calculated Property
Cp,gas 1048.05 J/mol×K 919.22 Calculated Property
Cp,gas 1081.91 J/mol×K 1000.00 Calculated Property

Similar Compounds

.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)-, 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)-, dodecyl ester.

Sources

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