ChemSpider 2D Image | 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid | C10H16O3

4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid

  • Molecular FormulaC10H16O3
  • Average mass184.232 Da
  • Monoisotopic mass184.109940 Da
  • ChemSpider ID29364607

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(Hydroxymethyl)bicyclo[2.2.2]octan-1-carbonsäure [German] [ACD/IUPAC Name]
4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid [ACD/IUPAC Name]
Acide 4-(hydroxyméthyl)bicyclo[2.2.2]octane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-(hydroxymethyl)- [ACD/Index Name]
4-hydroxymethyl-bicyclo[2.2.2]octane-1-carboxylic acid
828-52-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 332.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.7±6.0 kJ/mol
Flash Point: 169.2±16.9 °C
Index of Refraction: 1.571
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.58
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 143.3±3.0 cm3

Click to predict properties on the Chemicalize site


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