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

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

InChI
InChI=1S/C19H26F3NO3/c1-2-3-4-5-6-7-14-26-17(24)12-13-23-18(25)15-8-10-16(11-9-15)19(20,21)22/h8-11H,2-7,12-14H2,1H3,(H,23,25)
InChI Key
CNTAVCPNKSHDDL-UHFFFAOYSA-N
Formula
C19H26F3NO3
SMILES
CCCCCCCCOC(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
373.41
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Physical Properties

Property Value Unit Source
ΔfusH° 51.51 kJ/mol Joback Calculated Property
ΔvapH° 104.23 kJ/mol Relay (1.0) Calculated Property
log10WS -5.53 Relay (1.0) Calculated Property
logPoct/wat 4.729 Crippen Calculated Property
McVol 279.110 ml/mol McGowan Calculated Property
Pc 1311.80 kPa Joback Calculated Property
Inp [2414.00; 2414.00]   Show Hide
Inp 2414.00 NIST
Inp 2414.00 NIST
Tboil 642.86 K Relay (1.0) Calculated Property
Tfus 347.92 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 [410.42; 934.69] 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-8.63100e+00
Coefficient B1.82502e+00
Coefficient C-1.13026e-03
Coefficient D2.48560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 410.42 J/mol×K 273.00 Calculated Property
Cp,gas 506.56 J/mol×K 353.78 Calculated Property
Cp,gas 591.40 J/mol×K 434.56 Calculated Property
Cp,gas 665.72 J/mol×K 515.33 Calculated Property
Cp,gas 730.30 J/mol×K 596.11 Calculated Property
Cp,gas 785.93 J/mol×K 676.89 Calculated Property
Cp,gas 833.40 J/mol×K 757.67 Calculated Property
Cp,gas 873.49 J/mol×K 838.44 Calculated Property
Cp,gas 906.99 J/mol×K 919.22 Calculated Property
Cp,gas 934.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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