ChemSpider 2D Image | (2R)-2-Methyl-3-oxobutanoic acid | C5H8O3

(2R)-2-Methyl-3-oxobutanoic acid

  • Molecular FormulaC5H8O3
  • Average mass116.115 Da
  • Monoisotopic mass116.047340 Da
  • ChemSpider ID24191898

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Methyl-3-oxobutanoic acid [ACD/IUPAC Name]
(2R)-2-Methyl-3-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-méthyl-3-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-3-oxo-, (2R)- [ACD/Index Name]
(R)-2-METHYL-3-OXO-BUTANOIC ACID
76652-86-3 [RN]
Butanoic acid, 2-methyl-3-oxo-, (R)- (9CI)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 227.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.2±6.0 kJ/mol
Flash Point: 105.9±19.1 °C
Index of Refraction: 1.432
Molar Refractivity: 26.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 103.2±3.0 cm3

Click to predict properties on the Chemicalize site


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