Chemical Properties of .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, propyl ester

.beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, propyl ester

InChI
InChI=1S/C14H16F3NO3/c1-2-9-21-12(19)7-8-18-13(20)10-3-5-11(6-4-10)14(15,16)17/h3-6H,2,7-9H2,1H3,(H,18,20)
InChI Key
FLZAOZKNARYWDO-UHFFFAOYSA-N
Formula
C14H16F3NO3
SMILES
CCCOC(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
303.28
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Physical Properties

Property Value Unit Source
ΔfusH° 38.56 kJ/mol Joback Calculated Property
log10WS -3.77 Relay (1.0) Calculated Property
logPoct/wat 2.778 Crippen Calculated Property
McVol 208.660 ml/mol McGowan Calculated Property
Pc 1921.98 kPa Joback Calculated Property
Inp [1921.00; 1921.00]   Show Hide
Inp 1921.00 NIST
Inp 1921.00 NIST
Tboil 595.65 K Relay (1.0) Calculated Property
Tc 793.98 K Relay (1.0) Calculated Property
Tfus 353.50 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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 [304.35; 676.73] 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-4.08600e+00
Coefficient B1.35002e+00
Coefficient C-8.58260e-04
Coefficient D1.89060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 304.35 J/mol×K 273.00 Calculated Property
Cp,gas 374.47 J/mol×K 353.78 Calculated Property
Cp,gas 436.01 J/mol×K 434.56 Calculated Property
Cp,gas 489.57 J/mol×K 515.33 Calculated Property
Cp,gas 535.74 J/mol×K 596.11 Calculated Property
Cp,gas 575.13 J/mol×K 676.89 Calculated Property
Cp,gas 608.32 J/mol×K 757.67 Calculated Property
Cp,gas 635.92 J/mol×K 838.44 Calculated Property
Cp,gas 658.52 J/mol×K 919.22 Calculated Property
Cp,gas 676.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

.beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, ethyl ester. .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, pentyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, propyl ester. .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, hexyl ester. «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)-, dodecyl ester. «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, octyl ester. «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, heptyl ester. «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, hexadecyl ester. .beta.-Alanine, N-(4-chlorobenzoyl)-, propyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, propyl ester.

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

Sources

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