ChemSpider 2D Image | 1-(3,5-Dichlorophenyl)-3,3-dimethyl-1-butanone | C12H14Cl2O

1-(3,5-Dichlorophenyl)-3,3-dimethyl-1-butanone

  • Molecular FormulaC12H14Cl2O
  • Average mass245.145 Da
  • Monoisotopic mass244.042175 Da
  • ChemSpider ID21398708

More details:

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

1-(3,5-Dichlorophenyl)-3,3-dimethyl-1-butanone [ACD/IUPAC Name]
1-(3,5-Dichlorophényl)-3,3-diméthyl-1-butanone [French] [ACD/IUPAC Name]
1-(3,5-Dichlorphenyl)-3,3-dimethyl-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 1-(3,5-dichlorophenyl)-3,3-dimethyl- [ACD/Index Name]
898764-92-6 [RN]
1-(3,5-dichlorophenyl)-3,3-dimethylbutan-1-one
3,5-dichloro-3,3-dimethylbutyrophenone
3',5'-Dichloro-3,3-dimethylbutyrophenone
MFCD03841111 [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: 330.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 139.3±25.7 °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: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1537.42
ACD/KOC (pH 5.5): 6648.20
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1537.42
ACD/KOC (pH 7.4): 6648.20
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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