ChemSpider 2D Image | Ethyl isobutyrylacetate | C8H14O3

Ethyl isobutyrylacetate

  • Molecular FormulaC8H14O3
  • Average mass158.195 Da
  • Monoisotopic mass158.094299 Da
  • ChemSpider ID21169498

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

230-491-9 [EINECS]
4-Méthyl-3-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
7152-15-0 [RN]
Ethyl 4-methyl-3-oxopentanoate [ACD/IUPAC Name]
Ethyl isobutyrylacetate
Ethyl-4-methyl-3-oxopentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 4-methyl-3-oxo-, ethyl ester [ACD/Index Name]
[7152-15-0] [RN]
1216475-83-0 [RN]
2,2-Dimethylacetoacetic Acid Ethyl Ester
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00009198 [DBID]
58700_FLUKA [DBID]
CCRIS 4693 [DBID]
E33203_ALDRICH [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 173.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.9±3.0 kJ/mol
Flash Point: 53.3±0.0 °C
Index of Refraction: 1.420
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.29
ACD/KOC (pH 5.5): 98.71
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.29
ACD/KOC (pH 7.4): 98.65
Polar Surface Area: 43 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 161.6±3.0 cm3

Click to predict properties on the Chemicalize site


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