Found 1 result

Search term: InChI=1S/C5H12O3/c1-3-5(8-7)4(2)6/h4-7H,3H2,1-2H3 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3-Hydroperoxy-2-pentanol | C5H12O3

3-Hydroperoxy-2-pentanol

  • Molecular FormulaC5H12O3
  • Average mass120.147 Da
  • Monoisotopic mass120.078644 Da
  • ChemSpider ID28712260

More details:

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

2-Pentanol, 3-hydroperoxy- [ACD/Index Name]
3-Hydroperoxy-2-pentanol [German] [ACD/IUPAC Name]
3-Hydroperoxy-2-pentanol [ACD/IUPAC Name]
3-Hydroperoxy-2-pentanol [French] [ACD/IUPAC Name]
3-Hydroperoxypentan-2-ol
94952-93-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 234.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.7±6.0 kJ/mol
Flash Point: 95.3±22.6 °C
Index of Refraction: 1.442
Molar Refractivity: 29.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 62.95
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.29
ACD/KOC (pH 7.4): 62.95
Polar Surface Area: 50 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 113.2±3.0 cm3

Click to predict properties on the Chemicalize site


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