ChemSpider 2D Image | 3-Methyl-1-(2-methylphenyl)-1-butanone | C12H16O

3-Methyl-1-(2-methylphenyl)-1-butanone

  • Molecular FormulaC12H16O
  • Average mass176.255 Da
  • Monoisotopic mass176.120117 Da
  • ChemSpider ID25528637

More details:

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

1-Butanone, 3-methyl-1-(2-methylphenyl)- [ACD/Index Name]
3-Methyl-1-(2-methylphenyl)-1-butanon [German] [ACD/IUPAC Name]
3-Methyl-1-(2-methylphenyl)-1-butanone [ACD/IUPAC Name]
3-Méthyl-1-(2-méthylphényl)-1-butanone [French] [ACD/IUPAC Name]
2',3-Dimethylbutyrophenone
3-methyl-1-(2-methylphenyl)butan-1-one
58138-81-1 [RN]
atoms 13 bonds 13
MFCD12153362 [MDL number]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 255.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.3±3.0 kJ/mol
Flash Point: 100.6±13.7 °C
Index of Refraction: 1.499
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 328.29
ACD/KOC (pH 5.5): 2201.61
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.29
ACD/KOC (pH 7.4): 2201.61
Polar Surface Area: 17 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 187.1±3.0 cm3

Click to predict properties on the Chemicalize site


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