ChemSpider 2D Image | Ethyl Diacetoacetate | C8H12O4

Ethyl Diacetoacetate

  • Molecular FormulaC8H12O4
  • Average mass172.178 Da
  • Monoisotopic mass172.073563 Da
  • ChemSpider ID21171390

More details:

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

210-053-3 [EINECS]
2-Acétyl-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
603-69-0 [RN]
Butanoic acid, 2-acetyl-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-acetyl-3-oxobutanoate [ACD/IUPAC Name]
ethyl 2-acetylacetoacetate
Ethyl Diacetoacetate
Ethyl-2-acetyl-3-oxobutanoat [German] [ACD/IUPAC Name]
MFCD00009864 [MDL number]
[603-69-0] [RN]
More...

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

249629_ALDRICH [DBID]
CCRIS 4693 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 210.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.6±3.0 kJ/mol
Flash Point: 85.0±0.0 °C
Index of Refraction: 1.429
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.00
ACD/KOC (pH 5.5): 124.21
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 32.73
Polar Surface Area: 60 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 158.7±3.0 cm3

Click to predict properties on the Chemicalize site


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