Chemical Properties of l-Leucine, N-(4-bromobenzoyl)-, methyl ester

l-Leucine, N-(4-bromobenzoyl)-, methyl ester

InChI
InChI=1S/C14H18BrNO3/c1-9(2)8-12(14(18)19-3)16-13(17)10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,16,17)
InChI Key
RIYQPKDTWIBZHR-UHFFFAOYSA-N
Formula
C14H18BrNO3
SMILES
COC(=O)C(CC(C)C)NC(=O)c1ccc(Br)cc1
Molecular Weight1
328.20
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Physical Properties

Property Value Unit Source
ΔfusH° 34.97 kJ/mol Joback Calculated Property
IE 8.72 eV Relay (1.0) Calculated Property
logPoct/wat 2.767 Crippen Calculated Property
McVol 220.850 ml/mol McGowan Calculated Property
Inp 2116.00 NIST
Tfus 373.31 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [294.57; 664.20] 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 A6.94100e+00
Coefficient B1.23886e+00
Coefficient C-7.15060e-04
Coefficient D1.33460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 294.57 J/mol×K 273.00 Calculated Property
Cp,gas 361.64 J/mol×K 353.78 Calculated Property
Cp,gas 421.22 J/mol×K 434.56 Calculated Property
Cp,gas 473.73 J/mol×K 515.33 Calculated Property
Cp,gas 519.61 J/mol×K 596.11 Calculated Property
Cp,gas 559.28 J/mol×K 676.89 Calculated Property
Cp,gas 593.15 J/mol×K 757.67 Calculated Property
Cp,gas 621.64 J/mol×K 838.44 Calculated Property
Cp,gas 645.19 J/mol×K 919.22 Calculated Property
Cp,gas 664.20 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Leucine, N-(m-anisoyl)-, methyl ester. l-Leucine, N-(2,3,4-trifluorobenzoyl)-, methyl ester. Pentanedioic acid, 2-benzoylamino, dimethyl ester. L-Proline, N-(3-bromobenzoyl)-, isohexyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, pentyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, octyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, isobutyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, butyl ester. L-Valine, N-(3-fluoro-4-trifluoromethylbenzoyl)-, isohexyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, propyl ester. L-Proline, N-(3-bromobenzoyl)-, undecyl ester. L-Proline, N-(3-bromobenzoyl)-, dodecyl ester. L-Proline, N-(furoyl-2)-, isohexyl ester. L-Proline, N-(2-bromobenzoyl)-, isohexyl ester. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, ethyl ester.

Find more compounds similar to l-Leucine, N-(4-bromobenzoyl)-, methyl ester.

Sources

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