Chemical Properties of D-alanine, n-(5-chlorovaleryl)-, isobutyl ester

D-alanine, n-(5-chlorovaleryl)-, isobutyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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
Sources

Physical Properties

Property Value Unit Source
Δf -240.10 kJ/mol Joback Calculated Property
Δfgas -621.22 kJ/mol Joback Calculated Property
Δfus 33.47 kJ/mol Joback Calculated Property
Δvap 68.25 kJ/mol Joback Calculated Property
logPoct/wat 2.10 Crippen Calculated Property
Pc 1942.37 kPa Joback Calculated Property
Tboil 690.84 K Joback Calculated Property
Tc 880.76 K Joback Calculated Property
Tfus 399.67 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 573.99 J/mol×K 690.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
-CH2- 5
-Cl 1
>NH 1
>C=O (nonring) 2

Similar Compounds

D-alanine, n-(5-chlorovaleryl)-, butyl ester. D-alanine, n-(5-chlorovaleryl)-, pentyl ester. D-alanine, n-(5-chlorovaleryl)-, hexyl ester. D-alanine, n-(5-chlorovaleryl)-, heptyl ester. D-alanine, n-(5-chlorovaleryl)-, octyl ester. D-alanine, n-(5-chlorovaleryl)-, isohexyl ester. L-alanine, n-(5-chlorovaleryl)-, methyl ester. L-alanine, n-caproyl-, methyl ester. L-alanine, n-capryloyl-, methyl ester. L-alanine, n-butyryl-, methyl ester. N-hexanoyl-dl-homoserine lactone. N-Dodecanoyl-DL-homoserine lactone. N-tetradecanoyl-dl-homoserine lactone. N-capryloyl-dl-homoserine lactone. N-butyryl-dl-homoserine lactone.

Find more compounds similar to D-alanine, n-(5-chlorovaleryl)-, isobutyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.