Chemical Properties of L-Valine, N-(3-bromobenzoyl)-, undecyl ester

L-Valine, N-(3-bromobenzoyl)-, undecyl ester

InChI
InChI=1S/C23H36BrNO3/c1-4-5-6-7-8-9-10-11-12-16-28-23(27)21(18(2)3)25-22(26)19-14-13-15-20(24)17-19/h13-15,17-18,21H,4-12,16H2,1-3H3,(H,25,26)
InChI Key
QNLMGQYEAWHWHQ-UHFFFAOYSA-N
Formula
C23H36BrNO3
SMILES
CCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Br)c1)C(C)C
Molecular Weight1
454.45
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Physical Properties

Property Value Unit Source
ΔfusH° 58.28 kJ/mol Joback Calculated Property
log10WS -7.10 Relay (1.0) Calculated Property
logPoct/wat 6.277 Crippen Calculated Property
McVol 347.660 ml/mol McGowan Calculated Property
Pc 1153.78 kPa Joback Calculated Property
Inp 3060.00 NIST
Tboil 669.34 K Relay (1.0) Calculated Property
Tfus 346.58 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 [485.50; 1128.52] 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-1.24000e+00
Coefficient B2.09386e+00
Coefficient C-1.20466e-03
Coefficient D2.40560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 485.50 J/mol×K 273.00 Calculated Property
Cp,gas 599.40 J/mol×K 353.78 Calculated Property
Cp,gas 700.91 J/mol×K 434.56 Calculated Property
Cp,gas 790.80 J/mol×K 515.33 Calculated Property
Cp,gas 869.82 J/mol×K 596.11 Calculated Property
Cp,gas 938.73 J/mol×K 676.89 Calculated Property
Cp,gas 998.29 J/mol×K 757.67 Calculated Property
Cp,gas 1049.27 J/mol×K 838.44 Calculated Property
Cp,gas 1092.43 J/mol×K 919.22 Calculated Property
Cp,gas 1128.52 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-bromobenzoyl)-, octyl ester. L-Valine, N-(3-bromobenzoyl)-, nonyl ester. L-Valine, N-(3-bromobenzoyl)-, hexyl ester. L-Valine, N-(3-bromobenzoyl)-, heptyl ester. L-Valine, N-(3-bromobenzoyl)-, tetradecyl ester. L-Valine, N-(3-bromobenzoyl)-, pentadecyl ester. L-Valine, N-(3-bromobenzoyl)-, dodecyl ester. L-Valine, N-(3-bromobenzoyl)-, decyl ester. L-Valine, N-(3-bromobenzoyl)-, pentyl ester. L-Valine, N-(3-bromobenzoyl)-, butyl ester. L-Valine, N-(3-bromobenzoyl)-, propyl ester. L-Valine, N-(4-fluorobenzoyl)-, decyl ester. L-Valine, N-(4-fluorobenzoyl)-, octadecyl ester. L-Valine, N-(4-fluorobenzoyl)-, heptadecyl ester. L-Valine, N-(4-fluorobenzoyl)-, hexadecyl ester.

Find more compounds similar to L-Valine, N-(3-bromobenzoyl)-, undecyl ester.

Sources

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