ChemSpider 2D Image | 1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanone | C14H20O

1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanone

  • Molecular FormulaC14H20O
  • Average mass204.308 Da
  • Monoisotopic mass204.151413 Da
  • ChemSpider ID21398689

More details:

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

1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanon [German] [ACD/IUPAC Name]
1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanone [ACD/IUPAC Name]
1-(2,5-Diméthylphényl)-3,3-diméthyl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(2,5-dimethylphenyl)-3,3-dimethyl- [ACD/Index Name]
898764-50-6 [RN]
1-(2,5-dimethylphenyl)-3,3-dimethylbutan-1-one
2,3,3,5-tetramethylbutyrophenone
2',3,3,5'-tetramethylbutyrophenone
MFCD03841095 [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: 290.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 118.1±13.7 °C
Index of Refraction: 1.499
Molar Refractivity: 64.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1449.90
ACD/KOC (pH 5.5): 6375.05
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1449.90
ACD/KOC (pH 7.4): 6375.05
Polar Surface Area: 17 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 219.6±3.0 cm3

Click to predict properties on the Chemicalize site


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