Chemical Properties of «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, decyl ester

«beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, decyl ester

InChI
InChI=1S/C21H30F3NO3/c1-2-3-4-5-6-7-8-9-16-28-19(26)14-15-25-20(27)17-10-12-18(13-11-17)21(22,23)24/h10-13H,2-9,14-16H2,1H3,(H,25,27)
InChI Key
ODMUXELDHHUTSA-UHFFFAOYSA-N
Formula
C21H30F3NO3
SMILES
CCCCCCCCCCOC(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
401.46
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Physical Properties

Property Value Unit Source
ΔfusH° 56.69 kJ/mol Joback Calculated Property
ΔvapH° 112.56 kJ/mol Relay (1.0) Calculated Property
log10WS -6.14 Relay (1.0) Calculated Property
logPoct/wat 5.509 Crippen Calculated Property
McVol 307.290 ml/mol McGowan Calculated Property
Pc 1146.76 kPa Joback Calculated Property
Inp [2614.00; 2614.00]   Show Hide
Inp 2614.00 NIST
Inp 2614.00 NIST
Tboil 658.82 K Relay (1.0) Calculated Property
Tfus 349.43 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 [452.85; 1037.87] 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-1.04490e+01
Coefficient B2.01502e+00
Coefficient C-1.23906e-03
Coefficient D2.72360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 452.85 J/mol×K 273.00 Calculated Property
Cp,gas 559.40 J/mol×K 353.78 Calculated Property
Cp,gas 653.56 J/mol×K 434.56 Calculated Property
Cp,gas 736.18 J/mol×K 515.33 Calculated Property
Cp,gas 808.12 J/mol×K 596.11 Calculated Property
Cp,gas 870.25 J/mol×K 676.89 Calculated Property
Cp,gas 923.43 J/mol×K 757.67 Calculated Property
Cp,gas 968.52 J/mol×K 838.44 Calculated Property
Cp,gas 1006.38 J/mol×K 919.22 Calculated Property
Cp,gas 1037.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, decyl ester.

Sources

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