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

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

InChI
InChI=1S/C26H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-33-24(31)18-19-30-25(32)22-16-15-17-23(21-22)26(27,28)29/h15-17,21H,2-14,18-20H2,1H3,(H,30,32)
InChI Key
UZSRVXIDJBYBOZ-UHFFFAOYSA-N
Formula
C26H40F3NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
471.60
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Physical Properties

Property Value Unit Source
ΔfusH° 69.64 kJ/mol Joback Calculated Property
ΔvapH° 131.06 kJ/mol Relay (1.0) Calculated Property
log10WS -7.55 Relay (1.0) Calculated Property
logPoct/wat 7.460 Crippen Calculated Property
McVol 377.740 ml/mol McGowan Calculated Property
Pc 848.50 kPa Joback Calculated Property
Inp [3393.00; 3393.00]   Show Hide
Inp 3393.00 NIST
Inp 3393.00 NIST
Tboil 694.41 K Relay (1.0) Calculated Property
Tfus 338.62 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 [558.92; 1295.83] 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-1.49940e+01
Coefficient B2.49002e+00
Coefficient C-1.51106e-03
Coefficient D3.31860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 558.92 J/mol×K 273.00 Calculated Property
Cp,gas 691.49 J/mol×K 353.78 Calculated Property
Cp,gas 808.94 J/mol×K 434.56 Calculated Property
Cp,gas 912.32 J/mol×K 515.33 Calculated Property
Cp,gas 1002.68 J/mol×K 596.11 Calculated Property
Cp,gas 1081.06 J/mol×K 676.89 Calculated Property
Cp,gas 1148.51 J/mol×K 757.67 Calculated Property
Cp,gas 1206.09 J/mol×K 838.44 Calculated Property
Cp,gas 1254.85 J/mol×K 919.22 Calculated Property
Cp,gas 1295.83 J/mol×K 1000.00 Calculated Property

Similar Compounds

.beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, dodecyl 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)-, pentadecyl ester.

Sources

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