ChemSpider 2D Image | 1-(2,4-Dichlorophenyl)-3,3-dimethyl-1-butanone | C12H14Cl2O

1-(2,4-Dichlorophenyl)-3,3-dimethyl-1-butanone

  • Molecular FormulaC12H14Cl2O
  • Average mass245.145 Da
  • Monoisotopic mass244.042175 Da
  • ChemSpider ID21398705

More details:

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

1-(2,4-Dichlorophenyl)-3,3-dimethyl-1-butanone [ACD/IUPAC Name]
1-(2,4-Dichlorophényl)-3,3-diméthyl-1-butanone [French] [ACD/IUPAC Name]
1-(2,4-Dichlorphenyl)-3,3-dimethyl-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 1-(2,4-dichlorophenyl)-3,3-dimethyl- [ACD/Index Name]
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-1-one
2,4-dichloro-3,3-dimethylbutyrophenone
2',4'-Dichloro-3,3-dimethylbutyrophenone
898764-86-8 [RN]
MFCD03841108 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 302.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 126.6±22.9 °C
Index of Refraction: 1.524
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1041.47
ACD/KOC (pH 5.5): 5030.74
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1041.47
ACD/KOC (pH 7.4): 5030.74
Polar Surface Area: 17 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 210.9±3.0 cm3

Click to predict properties on the Chemicalize site


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