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

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

InChI
InChI=1S/C26H42BrNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-31-26(30)24(21(2)3)28-25(29)22-17-16-18-23(27)20-22/h16-18,20-21,24H,4-15,19H2,1-3H3,(H,28,29)
InChI Key
NYHQIRUXKFDJTP-UHFFFAOYSA-N
Formula
C26H42BrNO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Br)c1)C(C)C
Molecular Weight1
496.53
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Physical Properties

Property Value Unit Source
ΔfusH° 66.05 kJ/mol Joback Calculated Property
log10WS -7.93 Relay (1.0) Calculated Property
logPoct/wat 7.448 Crippen Calculated Property
McVol 389.930 ml/mol McGowan Calculated Property
Pc 957.32 kPa Joback Calculated Property
Inp [3368.00; 3368.00]   Show Hide
Inp 3368.00 NIST
Inp 3368.00 NIST
Tboil 689.79 K Relay (1.0) Calculated Property
Tfus 349.93 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 [549.14; 1283.29] 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-3.96700e+00
Coefficient B2.37886e+00
Coefficient C-1.36786e-03
Coefficient D2.76260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 549.14 J/mol×K 273.00 Calculated Property
Cp,gas 678.65 J/mol×K 353.78 Calculated Property
Cp,gas 794.15 J/mol×K 434.56 Calculated Property
Cp,gas 896.49 J/mol×K 515.33 Calculated Property
Cp,gas 986.55 J/mol×K 596.11 Calculated Property
Cp,gas 1065.21 J/mol×K 676.89 Calculated Property
Cp,gas 1133.34 J/mol×K 757.67 Calculated Property
Cp,gas 1191.82 J/mol×K 838.44 Calculated Property
Cp,gas 1241.51 J/mol×K 919.22 Calculated Property
Cp,gas 1283.29 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)-, pentadecyl ester. L-Valine, N-(3-bromobenzoyl)-, undecyl 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)-, tetradecyl ester.

Sources

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