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

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

InChI
InChI=1S/C27H42F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-34-25(32)20-21-31-26(33)23-16-18-24(19-17-23)27(28,29)30/h16-19H,2-15,20-22H2,1H3,(H,31,33)
InChI Key
XXWMNUOYDQEQSB-UHFFFAOYSA-N
Formula
C27H42F3NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
485.62
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Physical Properties

Property Value Unit Source
ΔfusH° 72.23 kJ/mol Joback Calculated Property
ΔvapH° 136.55 kJ/mol Relay (1.0) Calculated Property
log10WS -7.77 Relay (1.0) Calculated Property
logPoct/wat 7.850 Crippen Calculated Property
McVol 391.830 ml/mol McGowan Calculated Property
Pc 802.97 kPa Joback Calculated Property
Tboil 702.29 K Relay (1.0) Calculated Property
Tfus 357.40 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 [580.13; 1347.42] 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-1.59030e+01
Coefficient B2.58502e+00
Coefficient C-1.56546e-03
Coefficient D3.43760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 580.13 J/mol×K 273.00 Calculated Property
Cp,gas 717.91 J/mol×K 353.78 Calculated Property
Cp,gas 840.02 J/mol×K 434.56 Calculated Property
Cp,gas 947.55 J/mol×K 515.33 Calculated Property
Cp,gas 1041.59 J/mol×K 596.11 Calculated Property
Cp,gas 1123.22 J/mol×K 676.89 Calculated Property
Cp,gas 1193.53 J/mol×K 757.67 Calculated Property
Cp,gas 1253.61 J/mol×K 838.44 Calculated Property
Cp,gas 1304.54 J/mol×K 919.22 Calculated Property
Cp,gas 1347.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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