ChemSpider 2D Image | Cyclobutyl 3-methylphenyl ketone | C12H14O

Cyclobutyl 3-methylphenyl ketone

  • Molecular FormulaC12H14O
  • Average mass174.239 Da
  • Monoisotopic mass174.104462 Da
  • ChemSpider ID21398816

More details:

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

898790-40-4 [RN]
Cyclobutyl 3-methylphenyl ketone
Cyclobutyl(3-methylphenyl)methanon [German] [ACD/IUPAC Name]
Cyclobutyl(3-methylphenyl)methanone [ACD/IUPAC Name]
Cyclobutyl(3-méthylphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, cyclobutyl(3-methylphenyl)- [ACD/Index Name]
[898790-40-4] [RN]
97%
cyclobutyl-(3-methylphenyl)methanone
MFCD03841246 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 280.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 115.9±13.7 °C
Index of Refraction: 1.557
Molar Refractivity: 52.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.12
ACD/KOC (pH 5.5): 1539.26
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.12
ACD/KOC (pH 7.4): 1539.26
Polar Surface Area: 17 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 164.3±3.0 cm3

Click to predict properties on the Chemicalize site


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