Chemical Properties of D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, ethyl ester

D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, ethyl ester

InChI
InChI=1S/C13H14F3NO4/c1-4-21-13(19)6(2)17-12(18)7-5-8(14)10(16)11(20-3)9(7)15/h5-6H,4H2,1-3H3,(H,17,18)
InChI Key
AVEFJQGYAPMVDP-UHFFFAOYSA-N
Formula
C13H14F3NO4
SMILES
CCOC(=O)C(C)NC(=O)c1cc(F)c(F)c(OC)c1F
Molecular Weight1
305.25
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Physical Properties

Property Value Unit Source
ΔfusH° 39.88 kJ/mol Joback Calculated Property
logPoct/wat 1.794 Crippen Calculated Property
McVol 200.440 ml/mol McGowan Calculated Property
Inp [1890.00; 1890.00]   Show Hide
Inp 1890.00 NIST
Inp 1890.00 NIST
Tboil 568.26 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, Log10 of Water solubility in mol/l 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 [307.34; 633.59] 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 A8.80110e+01
Coefficient B8.93460e-01
Coefficient C-3.23140e-04
Coefficient D-2.47400e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 307.34 J/mol×K 273.00 Calculated Property
Cp,gas 362.56 J/mol×K 353.78 Calculated Property
Cp,gas 413.22 J/mol×K 434.56 Calculated Property
Cp,gas 459.24 J/mol×K 515.33 Calculated Property
Cp,gas 500.54 J/mol×K 596.11 Calculated Property
Cp,gas 537.06 J/mol×K 676.89 Calculated Property
Cp,gas 568.69 J/mol×K 757.67 Calculated Property
Cp,gas 595.38 J/mol×K 838.44 Calculated Property
Cp,gas 617.04 J/mol×K 919.22 Calculated Property
Cp,gas 633.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, propyl ester. D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, nonadecyl ester. D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, hexadecyl ester. D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, isohexyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, butyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, decyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, tetradecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, octadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, undecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, isohexyl ester.

Find more compounds similar to D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, ethyl ester.

Sources

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