Chemical Properties of D-Alanine, N-(5-chlorovaleryl)-, isobutyl ester

D-Alanine, N-(5-chlorovaleryl)-, isobutyl ester

InChI
InChI=1S/C12H22ClNO3/c1-9(2)8-17-12(16)10(3)14-11(15)6-4-5-7-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChI Key
ZYJVGFIIKFSXSY-UHFFFAOYSA-N
Formula
C12H22ClNO3
SMILES
CC(C)COC(=O)C(C)NC(=O)CCCCCl
Molecular Weight1
263.76
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Physical Properties

Property Value Unit Source
ΔfH°gas -795.34 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.05 kJ/mol Joback Calculated Property
ΔvapH° 81.82 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.099 Crippen Calculated Property
McVol 211.170 ml/mol McGowan Calculated Property
Pc 1874.03 kPa Joback Calculated Property
Inp 1907.00 NIST
Tboil 552.85 K Relay (1.0) Calculated Property
Tc 766.04 K Relay (1.0) Calculated Property
Tfus 314.45 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [568.81; 643.55] J/mol×K [672.97; 860.67] Show Hide
Cp,gas 568.81 J/mol×K 672.97 Joback Calculated Property
Cp,gas 583.24 J/mol×K 704.25 Joback Calculated Property
Cp,gas 596.86 J/mol×K 735.54 Joback Calculated Property
Cp,gas 609.69 J/mol×K 766.82 Joback Calculated Property
Cp,gas 621.73 J/mol×K 798.10 Joback Calculated Property
Cp,gas 633.01 J/mol×K 829.39 Joback Calculated Property
Cp,gas 643.55 J/mol×K 860.67 Joback Calculated Property

Similar Compounds

D-Alanine, N-(5-chlorovaleryl)-, butyl ester. D-Alanine, N-(5-chlorovaleryl)-, pentyl ester. D-Alanine, N-(5-chlorovaleryl)-, isohexyl ester. D-Alanine, N-(5-chlorovaleryl)-, hexyl ester. D-Alanine, N-(5-chlorovaleryl)-, heptyl ester. D-Alanine, N-(5-chlorovaleryl)-, octyl ester. l-Alanine, N-(5-chlorovaleryl)-, methyl ester. L-Valine, N-(5-chlorovaleryl)-, isobutyl ester. l-Serine, N,O-bis(5-chlorovaleyl), methyl ester. L-Valine, N-(5-chlorovaleryl)-, butyl ester. l-Serine, N,O-bis(caproyl)-, methyl ester. L-Valine, N-(5-chlorovaleryl)-, pentyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, isobutyl ester. L-Valine, N-(5-chlorovaleryl)-, isohexyl ester. l-Serine, N,O-bis(3-cyclopentylpropionyl)-, methyl ester.

Find more compounds similar to D-Alanine, N-(5-chlorovaleryl)-, isobutyl ester.

Sources

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