Chemical Properties of Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester (CAS 35490-05-2)

Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester

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InChI
InChI=1S/C10H16O4/c1-4-14-10(13)9(8(3)12)6-5-7(2)11/h9H,4-6H2,1-3H3
InChI Key
FSXQBIOXTYIIDI-UHFFFAOYSA-N
Formula
C10H16O4
SMILES
CCOC(=O)C(CCC(C)=O)C(C)=O
Molecular Weight1
200.23
CAS
35490-05-2
Sources

Physical Properties

Property Value Unit Source
Δf -460.88 kJ/mol Joback Calculated Property
Δfgas -724.97 kJ/mol Joback Calculated Property
Δfus 24.12 kJ/mol Joback Calculated Property
Δvap 60.11 kJ/mol Joback Calculated Property
logPoct/wat 1.12 Crippen Calculated Property
Pc 2505.01 kPa Joback Calculated Property
Tboil 611.79 K Joback Calculated Property
Tc 803.96 K Joback Calculated Property
Tfus 359.48 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 409.26 J/mol×K 611.79 Joback Calculated Property
η 0.00 Pa×s 611.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Diethyl 2-acetylglutarate. Heptanoic acid, 2-acetyl-, ethyl ester. Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester. Alpha-stearoyl stearic acid, methyl ester. Cyclopentanecarboxylic acid, 2-oxo-, ethyl ester. 3-Methyl-2-methoxycarbonylcyclopentanone. Butanoic acid, 2-ethyl-3-oxo-, ethyl ester. Ethyl diacetylacetate. Cyclopentanecarboxylic acid, 2-oxo-, methyl ester. Butanoic acid, 2-acetyl-3-methyl-, ethyl ester. Hexanoic acid, 2-ethyl-, ethyl ester. 2,2,4-Trimethyl-3-oxovaleric acid, 2-ethylhexyl ester. Butyl 2-ethylhexanoate. Butanedioic acid, acetyl-, diethyl ester. cis-Cyclohexane-1,3-dicarboxylic acid diethyl ester.

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