ChemSpider 2D Image | Ethyl 2-methylacetoacetate | C7H12O3

Ethyl 2-methylacetoacetate

  • Molecular FormulaC7H12O3
  • Average mass144.168 Da
  • Monoisotopic mass144.078644 Da
  • ChemSpider ID21106586

More details:

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

1071742 [Beilstein]
210-179-9 [EINECS]
2-Méthyl-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
2OVY1&V1 [WLN]
609-14-3 [RN]
Butanoic acid, 2-methyl-3-oxo-, ethyl ester [ACD/Index Name]
BUTANOIC ACID, 2-METHYL-3-OXO-, ETHYL ESTER, (S)-
Ethyl 2-methyl-3-oxobutanoate [ACD/IUPAC Name]
Ethyl 2-methylacetoacetate [ACD/IUPAC Name]
Ethyl-2-methyl-3-oxobutanoat [German] [ACD/IUPAC Name]
More...

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

NE9WOZ20JE [DBID]
UNII:NE9WOZ20JE [DBID]
0KK1QI203I [DBID]
E35400_ALDRICH [DBID]
NSC 1102 [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: 185.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.2±3.0 kJ/mol
Flash Point: 68.9±18.5 °C
Index of Refraction: 1.414
Molar Refractivity: 36.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 59.04
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 59.04
Polar Surface Area: 43 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 145.1±3.0 cm3

Click to predict properties on the Chemicalize site


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