ChemSpider 2D Image | (1R)-2-(4-Methylbenzoyl)cyclohexanecarboxylic acid | C15H18O3

(1R)-2-(4-Methylbenzoyl)cyclohexanecarboxylic acid

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID71359852

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-2-(4-Methylbenzoyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R)-2-(4-Methylbenzoyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R)-2-(4-méthylbenzoyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-(4-methylbenzoyl)-, (1R)- [ACD/Index Name]

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

MFCD00800521 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 425.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 225.1±23.3 °C
Index of Refraction: 1.557
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 9.00
ACD/KOC (pH 5.5): 76.87
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 54 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 212.0±3.0 cm3

Click to predict properties on the Chemicalize site


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