Chemical Properties of .BETA.-alanine, n-cyclohexylcarbonyl-, ethyl ester

.BETA.-alanine, n-cyclohexylcarbonyl-, ethyl ester

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InChI
InChI=1S/C12H21NO3/c1-2-16-11(14)8-9-13-12(15)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)
InChI Key
YPTRFXLVRQUQMC-UHFFFAOYSA-N
Formula
C12H21NO3
SMILES
CCOC(=O)CCNC(=O)C1CCCCC1
Molecular Weight1
227.30
Sources

Physical Properties

Property Value Unit Source
Δf -198.84 kJ/mol Joback Calculated Property
Δfgas -540.60 kJ/mol Joback Calculated Property
Δfus 28.16 kJ/mol Joback Calculated Property
Δvap 65.07 kJ/mol Joback Calculated Property
logPoct/wat 1.64 Crippen Calculated Property
Pc 2395.87 kPa Joback Calculated Property
Tboil 673.84 K Joback Calculated Property
Tc 880.62 K Joback Calculated Property
Tfus 407.13 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 536.48 J/mol×K 673.84 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

.BETA.-alanine, n-cyclohexylcarbonyl-, pentyl ester. .BETA.-alanine, n-cyclohexylcarbonyl-, heptyl ester. .BETA.-alanine, n-cyclohexylcarbonyl-, decyl ester. .BETA.-alanine, n-cyclohexylcarbonyl-, tetradecyl ester. .BETA.-alanine, n-cyclohexylcarbonyl-, pentadecyl ester. .BETA.-alanine, n-(3-cyclopentylpropionyl)-, propyl ester. .BETA.-alanine, n-capryloyl-, propyl ester. .BETA.-alanine, n-caproyl-, propyl ester. .BETA.-alanine, n-(3-cyclopentylpropionyl)-, butyl ester. .BETA.-alanine, n-capryloyl-, isohexyl ester. .BETA.-alanine, n-caproyl-, butyl ester. .BETA.-alanine, n-capryloyl-, hexyl ester. .BETA.-alanine, n-capryloyl-, heptyl ester. .BETA.-alanine, n-capryloyl-, tetradecyl ester. .BETA.-alanine, n-caproyl-, pentyl ester.

Find more compounds similar to .BETA.-alanine, n-cyclohexylcarbonyl-, ethyl ester.

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