ChemSpider 2D Image | 5-(4,6-Dihydroxy-6-methyloctyl)-2(5H)-furanone | C13H22O4

5-(4,6-Dihydroxy-6-methyloctyl)-2(5H)-furanone

  • Molecular FormulaC13H22O4
  • Average mass242.311 Da
  • Monoisotopic mass242.151810 Da
  • ChemSpider ID35517031

More details:

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

2(5H)-Furanone, 5-(4,6-dihydroxy-6-methyloctyl)- [ACD/Index Name]
5-(4,6-Dihydroxy-6-methyloctyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
5-(4,6-Dihydroxy-6-methyloctyl)-2(5H)-furanone [ACD/IUPAC Name]
5-(4,6-Dihydroxy-6-méthyloctyl)-2(5H)-furanone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 447.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.4±6.0 kJ/mol
Flash Point: 168.4±15.3 °C
Index of Refraction: 1.504
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 66.20
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.45
ACD/KOC (pH 7.4): 66.20
Polar Surface Area: 67 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 218.1±3.0 cm3

Click to predict properties on the Chemicalize site


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