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

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

InChI
InChI=1S/C15H20BrNO3/c1-4-8-20-15(19)13(10(2)3)17-14(18)11-6-5-7-12(16)9-11/h5-7,9-10,13H,4,8H2,1-3H3,(H,17,18)
InChI Key
KMDJDHUQZNJQIO-UHFFFAOYSA-N
Formula
C15H20BrNO3
SMILES
CCCOC(=O)C(NC(=O)c1cccc(Br)c1)C(C)C
Molecular Weight1
342.23
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Physical Properties

Property Value Unit Source
ΔfusH° 37.56 kJ/mol Joback Calculated Property
IE 8.72 eV Relay (1.0) Calculated Property
log10WS -4.63 Relay (1.0) Calculated Property
logPoct/wat 3.157 Crippen Calculated Property
McVol 234.940 ml/mol McGowan Calculated Property
Pc 2111.94 kPa Joback Calculated Property
Inp [2261.00; 2261.00]   Show Hide
Inp 2261.00 NIST
Inp 2261.00 NIST
Tboil 613.66 K Relay (1.0) Calculated Property
Tfus 349.37 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 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [655.85; 720.74] J/mol×K [802.00; 1022.10] Show Hide
Cp,gas 655.85 J/mol×K 802.00 Joback Calculated Property
Cp,gas 669.24 J/mol×K 838.68 Joback Calculated Property
Cp,gas 681.54 J/mol×K 875.37 Joback Calculated Property
Cp,gas 692.80 J/mol×K 912.05 Joback Calculated Property
Cp,gas 703.05 J/mol×K 948.73 Joback Calculated Property
Cp,gas 712.35 J/mol×K 985.42 Joback Calculated Property
Cp,gas 720.74 J/mol×K 1022.10 Joback Calculated Property

Similar Compounds

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

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

Sources

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