ChemSpider 2D Image | (2S)-Acetylcyclohexanone | C8H12O2

(2S)-Acetylcyclohexanone

  • Molecular FormulaC8H12O2
  • Average mass140.180 Da
  • Monoisotopic mass140.083725 Da
  • ChemSpider ID21427288

More details:

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

(2S)-Acetylcyclohexanone
(2S)-2-Acetylcyclohexanon [German] [ACD/IUPAC Name]
(2S)-2-Acetylcyclohexanone [ACD/IUPAC Name]
(2S)-2-Acétylcyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2-acetyl-, (2S)- [ACD/Index Name]
212-858-5 [EINECS]
874-23-7 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 224.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 79.4±0.0 °C
Index of Refraction: 1.464
Molar Refractivity: 37.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.33
ACD/KOC (pH 5.5): 82.36
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 82.34
Polar Surface Area: 34 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 134.2±3.0 cm3

Click to predict properties on the Chemicalize site


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