ChemSpider 2D Image | (2S)-2-Isobutyrylcyclohexanone | C10H16O2

(2S)-2-Isobutyrylcyclohexanone

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID32792157
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Isobutyrylcyclohexanon [German] [ACD/IUPAC Name]
(2S)-2-Isobutyrylcyclohexanone [ACD/IUPAC Name]
(2S)-2-Isobutyrylcyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2-(2-methyl-1-oxopropyl)-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 265.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.4±3.0 kJ/mol
Flash Point: 98.4±19.6 °C
Index of Refraction: 1.464
Molar Refractivity: 46.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.82
ACD/KOC (pH 5.5): 228.07
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.82
ACD/KOC (pH 7.4): 227.98
Polar Surface Area: 34 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 167.6±3.0 cm3

Click to predict properties on the Chemicalize site






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