ChemSpider 2D Image | 1-[4-(2-Methyl-2-propanyl)phenyl]-1-heptanone | C17H26O

1-[4-(2-Methyl-2-propanyl)phenyl]-1-heptanone

  • Molecular FormulaC17H26O
  • Average mass246.388 Da
  • Monoisotopic mass246.198364 Da
  • ChemSpider ID35328306

More details:

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

1-[4-(2-Methyl-2-propanyl)phenyl]-1-heptanon [German] [ACD/IUPAC Name]
1-[4-(2-Methyl-2-propanyl)phenyl]-1-heptanone [ACD/IUPAC Name]
1-[4-(2-Méthyl-2-propanyl)phényl]-1-heptanone [French] [ACD/IUPAC Name]
1-Heptanone, 1-[4-(1,1-dimethylethyl)phenyl]- [ACD/Index Name]
1-(4-tert-Butylphenyl)heptan-1-one
532392-35-1 [RN]
atoms 18 bonds 18
MFCD20920312

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

Density: 0.9±0.1 g/cm3
Boiling Point: 344.4±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 143.6±17.0 °C
Index of Refraction: 1.488
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13334.28
ACD/KOC (pH 5.5): 31206.22
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13334.28
ACD/KOC (pH 7.4): 31206.22
Polar Surface Area: 17 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 270.2±3.0 cm3

Click to predict properties on the Chemicalize site


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