Chemical Properties of L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester

InChI
InChI=1S/C22H33ClFNO3/c1-4-5-6-7-8-9-10-11-15-28-22(27)20(16(2)3)25-21(26)17-13-12-14-18(23)19(17)24/h12-14,16,20H,4-11,15H2,1-3H3,(H,25,26)
InChI Key
WZBKOACPSDODKV-UHFFFAOYSA-N
Formula
C22H33ClFNO3
SMILES
CCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Cl)c1F)C(C)C
Molecular Weight1
413.96
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Physical Properties

Property Value Unit Source
ΔfusH° 57.30 kJ/mol Joback Calculated Property
log10WS -6.81 Relay (1.0) Calculated Property
logPoct/wat 5.917 Crippen Calculated Property
McVol 330.080 ml/mol McGowan Calculated Property
Pc 1100.81 kPa Joback Calculated Property
Inp [2816.00; 2816.00]   Show Hide
Inp 2816.00 NIST
Inp 2816.00 NIST
Tboil 644.39 K Relay (1.0) Calculated Property
Tfus 360.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [474.45; 1080.16] 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 A2.47590e+01
Coefficient B1.91976e+00
Coefficient C-1.04862e-03
Coefficient D1.84260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 474.45 J/mol×K 273.00 Calculated Property
Cp,gas 580.84 J/mol×K 353.78 Calculated Property
Cp,gas 676.10 J/mol×K 434.56 Calculated Property
Cp,gas 760.81 J/mol×K 515.33 Calculated Property
Cp,gas 835.56 J/mol×K 596.11 Calculated Property
Cp,gas 900.91 J/mol×K 676.89 Calculated Property
Cp,gas 957.47 J/mol×K 757.67 Calculated Property
Cp,gas 1005.81 J/mol×K 838.44 Calculated Property
Cp,gas 1046.51 J/mol×K 919.22 Calculated Property
Cp,gas 1080.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, undecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, hexadecyl ester.

Find more compounds similar to L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester.

Sources

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