ChemSpider 2D Image | 1-[4-(2-Methyl-2-propanyl)phenyl]-4-oxocyclohexanecarboxylic acid | C17H22O3

1-[4-(2-Methyl-2-propanyl)phenyl]-4-oxocyclohexanecarboxylic acid

  • Molecular FormulaC17H22O3
  • Average mass274.355 Da
  • Monoisotopic mass274.156891 Da
  • ChemSpider ID28572190

More details:






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

1-[4-(2-Methyl-2-propanyl)phenyl]-4-oxocyclohexancarbonsäure [German] [ACD/IUPAC Name]
1-[4-(2-Methyl-2-propanyl)phenyl]-4-oxocyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 1-[4-(2-méthyl-2-propanyl)phényl]-4-oxocyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-[4-(1,1-dimethylethyl)phenyl]-4-oxo- [ACD/Index Name]
[1385694-58-5]
1-(4-(tert-butyl)phenyl)-4-oxocyclohexanecarboxylic acid
1-(4-tert-Butylphenyl)-4-oxocyclohexane-1-carboxylic acid
1-(4-TERT-BUTYLPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID
1246471-29-3 [RN]
1385694-58-5 [RN]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 438.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 233.2±25.2 °C
Index of Refraction: 1.539
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 5.61
ACD/KOC (pH 5.5): 46.98
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 244.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement