ChemSpider 2D Image | 5,5-Bis(hydroxymethyl)-3-methyl-2-cyclohexen-1-one | C9H14O3

5,5-Bis(hydroxymethyl)-3-methyl-2-cyclohexen-1-one

  • Molecular FormulaC9H14O3
  • Average mass170.206 Da
  • Monoisotopic mass170.094299 Da
  • ChemSpider ID24740574

More details:

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

2-Cyclohexen-1-one, 5,5-bis(hydroxymethyl)-3-methyl- [ACD/Index Name]
5,5-Bis(hydroxymethyl)-3-methyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
5,5-Bis(hydroxymethyl)-3-methyl-2-cyclohexen-1-one [ACD/IUPAC Name]
5,5-Bis(hydroxyméthyl)-3-méthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
1150311-77-5 [RN]
MFCD24698217

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

Density: 1.1±0.1 g/cm3
Boiling Point: 312.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.2±6.0 kJ/mol
Flash Point: 157.3±21.1 °C
Index of Refraction: 1.506
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.12
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.12
Polar Surface Area: 58 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 149.8±3.0 cm3

Click to predict properties on the Chemicalize site


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