Chemical Properties of .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, isobutyl ester

.beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, isobutyl ester

InChI
InChI=1S/C14H16F3NO3/c1-8(2)7-21-11(19)5-6-18-14(20)9-3-4-10(15)13(17)12(9)16/h3-4,8H,5-7H2,1-2H3,(H,18,20)
InChI Key
NOKNZJXHGMAUSJ-UHFFFAOYSA-N
Formula
C14H16F3NO3
SMILES
CC(C)COC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
303.28
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Physical Properties

Property Value Unit Source
ΔfusH° 41.67 kJ/mol Joback Calculated Property
log10WS -4.27 Relay (1.0) Calculated Property
logPoct/wat 2.423 Crippen Calculated Property
McVol 208.660 ml/mol McGowan Calculated Property
Inp [1912.00; 1912.00]   Show Hide
Inp 1912.00 NIST
Inp 1912.00 NIST
Tboil 590.67 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 [310.60; 669.72] 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 A4.73030e+01
Coefficient B1.11114e+00
Coefficient C-5.55580e-04
Coefficient D6.68600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 310.60 J/mol×K 273.00 Calculated Property
Cp,gas 373.82 J/mol×K 353.78 Calculated Property
Cp,gas 430.73 J/mol×K 434.56 Calculated Property
Cp,gas 481.52 J/mol×K 515.33 Calculated Property
Cp,gas 526.40 J/mol×K 596.11 Calculated Property
Cp,gas 565.60 J/mol×K 676.89 Calculated Property
Cp,gas 599.32 J/mol×K 757.67 Calculated Property
Cp,gas 627.77 J/mol×K 838.44 Calculated Property
Cp,gas 651.17 J/mol×K 919.22 Calculated Property
Cp,gas 669.72 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, propyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, butyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, ethyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, decyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, octyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, dodecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, propyl ester.

Find more compounds similar to .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, isobutyl ester.

Sources

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