Chemical Properties of .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester

.beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester

InChI
InChI=1S/C25H38F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-32-23(30)17-18-29-24(31)21-15-14-16-22(20-21)25(26,27)28/h14-16,20H,2-13,17-19H2,1H3,(H,29,31)
InChI Key
KGKPYYSKXZMVDE-UHFFFAOYSA-N
Formula
C25H38F3NO3
SMILES
CCCCCCCCCCCCCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
457.58
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Physical Properties

Property Value Unit Source
ΔfusH° 67.05 kJ/mol Joback Calculated Property
ΔvapH° 127.10 kJ/mol Relay (1.0) Calculated Property
log10WS -7.28 Relay (1.0) Calculated Property
logPoct/wat 7.070 Crippen Calculated Property
McVol 363.650 ml/mol McGowan Calculated Property
Pc 898.02 kPa Joback Calculated Property
Inp [3187.00; 3187.00]   Show Hide
Inp 3187.00 NIST
Inp 3187.00 NIST
Tboil 687.27 K Relay (1.0) Calculated Property
Tfus 336.73 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 [537.70; 1244.24] 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 A-1.40850e+01
Coefficient B2.39502e+00
Coefficient C-1.45666e-03
Coefficient D3.19960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 537.70 J/mol×K 273.00 Calculated Property
Cp,gas 665.07 J/mol×K 353.78 Calculated Property
Cp,gas 777.87 J/mol×K 434.56 Calculated Property
Cp,gas 877.09 J/mol×K 515.33 Calculated Property
Cp,gas 963.77 J/mol×K 596.11 Calculated Property
Cp,gas 1038.90 J/mol×K 676.89 Calculated Property
Cp,gas 1103.50 J/mol×K 757.67 Calculated Property
Cp,gas 1158.58 J/mol×K 838.44 Calculated Property
Cp,gas 1205.15 J/mol×K 919.22 Calculated Property
Cp,gas 1244.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester.

Sources

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