ChemSpider 2D Image | ACIB | C8H14O3

ACIB

  • Molecular FormulaC8H14O3
  • Average mass158.195 Da
  • Monoisotopic mass158.094299 Da
  • ChemSpider ID21105926

More details:

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

231-937-5 [EINECS]
2-Methylpropyl 3-oxobutanoate
3-Oxobutanoate d'isobutyle [French] [ACD/IUPAC Name]
7779-75-1 [RN]
ACIB
Butanoic acid, 3-oxo-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl 3-oxobutanoate [ACD/IUPAC Name]
Isobutyl Acetoacetate
Isobutyl-3-oxobutanoat [German] [ACD/IUPAC Name]
[7779-75-1] [RN]
More...

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

1761405 [DBID]
5HI9DAL68Z [DBID]
MFCD00059349 [DBID]
00483_ALDRICH [DBID]
10902_FLUKA [DBID]
UNII:5HI9DAL68Z [DBID]
UNII-5HI9DAL68Z [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: 199.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.6±3.0 kJ/mol
Flash Point: 78.3±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

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