Chemical Properties of .BETA.-alanine, n-acryloyl-, isohexyl ester

.BETA.-alanine, n-acryloyl-, isohexyl ester

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InChI
InChI=1S/C12H21NO3/c1-4-11(14)13-8-7-12(15)16-9-5-6-10(2)3/h4,10H,1,5-9H2,2-3H3,(H,13,14)
InChI Key
LGODNLCNMQBMAP-UHFFFAOYSA-N
Formula
C12H21NO3
SMILES
C=CC(=O)NCCC(=O)OCCCC(C)C
Molecular Weight1
227.30
Sources

Physical Properties

Property Value Unit Source
Δf -137.89 kJ/mol Joback Calculated Property
Δfgas -474.77 kJ/mol Joback Calculated Property
Δfus 31.52 kJ/mol Joback Calculated Property
Δvap 63.59 kJ/mol Joback Calculated Property
logPoct/wat 1.66 Crippen Calculated Property
Pc 2069.88 kPa Joback Calculated Property
Tboil 650.53 K Joback Calculated Property
Tc 836.12 K Joback Calculated Property
Tfus 382.99 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 521.98 J/mol×K 650.53 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

.BETA.-alanine, n-acryloyl-, hexyl ester. .BETA.-alanine, n-acryloyl-, heptadecyl ester. .BETA.-alanine, n-acryloyl-, dodecyl ester. .BETA.-alanine, n-acryloyl-, decyl ester. .BETA.-alanine, n-acryloyl-, octadecyl ester. .BETA.-alanine, n-acryloyl-, tetradecyl ester. .BETA.-alanine, n-acryloyl-, butyl ester. .BETA.-alanine, n-(3-methylbut-2-enoyl)-, heptyl ester. .BETA.-alanine, n-(3-methylbut-2-enoyl)-, octyl ester. .BETA.-alanine, n-(3-methylbut-2-enoyl)-, hexadecyl ester. .BETA.-alanine, n-(3-methylbut-2-enoyl)-, pentadecyl ester. .BETA.-alanine, n-(3-methylbut-2-enoyl)-, tetradecyl ester. .BETA.-alanine, n-isobutyryl-, pentyl ester. .BETA.-alanine, n-isobutyryl-, heptyl ester. .BETA.-alanine, n-capryloyl-, isohexyl ester.

Find more compounds similar to .BETA.-alanine, n-acryloyl-, isohexyl ester.

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