Chemical Properties of .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, decyl ester

.beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, decyl ester

InChI
InChI=1S/C20H28F3NO3/c1-2-3-4-5-6-7-8-9-14-27-17(25)12-13-24-20(26)15-10-11-16(21)19(23)18(15)22/h10-11H,2-9,12-14H2,1H3,(H,24,26)
InChI Key
KVYSKKXHWZASQO-UHFFFAOYSA-N
Formula
C20H28F3NO3
SMILES
CCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
387.44
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Physical Properties

Property Value Unit Source
ΔfusH° 60.74 kJ/mol Joback Calculated Property
ΔvapH° 111.11 kJ/mol Relay (1.0) Calculated Property
log10WS -6.41 Relay (1.0) Calculated Property
logPoct/wat 4.908 Crippen Calculated Property
McVol 293.200 ml/mol McGowan Calculated Property
Pc 1184.16 kPa Joback Calculated Property
Inp [2561.00; 2561.00]   Show Hide
Inp 2561.00 NIST
Inp 2561.00 NIST
Tboil 644.77 K Relay (1.0) Calculated Property
Tfus 330.36 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 [438.19; 978.73] 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 A4.35310e+01
Coefficient B1.67522e+00
Coefficient C-8.78780e-04
Coefficient D1.38760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 438.19 J/mol×K 273.00 Calculated Property
Cp,gas 532.34 J/mol×K 353.78 Calculated Property
Cp,gas 616.95 J/mol×K 434.56 Calculated Property
Cp,gas 692.44 J/mol×K 515.33 Calculated Property
Cp,gas 759.27 J/mol×K 596.11 Calculated Property
Cp,gas 817.87 J/mol×K 676.89 Calculated Property
Cp,gas 868.67 J/mol×K 757.67 Calculated Property
Cp,gas 912.12 J/mol×K 838.44 Calculated Property
Cp,gas 948.67 J/mol×K 919.22 Calculated Property
Cp,gas 978.73 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)-, 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)-, decyl ester.

Sources

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