ChemSpider 2D Image | (2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid | C11H20O2

(2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid

  • Molecular FormulaC11H20O2
  • Average mass184.275 Da
  • Monoisotopic mass184.146332 Da
  • ChemSpider ID33004075

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,5R)-2-Isopropyl-5-methylcyclohexancarbonsäure [German] [ACD/IUPAC Name]
(2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (2S,5R)-2-isopropyl-5-méthylcyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (2S,5R)- [ACD/Index Name]
663218-94-8 [RN]
MFCD19237699

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

Density: 1.0±0.1 g/cm3
Boiling Point: 270.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.0±6.0 kJ/mol
Flash Point: 131.8±13.1 °C
Index of Refraction: 1.461
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 122.62
ACD/KOC (pH 5.5): 813.04
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.45
ACD/KOC (pH 7.4): 16.25
Polar Surface Area: 37 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 190.8±3.0 cm3

Click to predict properties on the Chemicalize site


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