Found 1 result

Search term: InChI=1S/C5H10O3/c1-3-5(2,4-6)8-7/h3,6-7H,1,4H2,2H3 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 2-Hydroperoxy-2-methyl-3-buten-1-ol | C5H10O3

2-Hydroperoxy-2-methyl-3-buten-1-ol

  • Molecular FormulaC5H10O3
  • Average mass118.131 Da
  • Monoisotopic mass118.062996 Da
  • ChemSpider ID73967192

More details:






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

2-Hydroperoxy-2-methyl-3-buten-1-ol [German] [ACD/IUPAC Name]
2-Hydroperoxy-2-methyl-3-buten-1-ol [ACD/IUPAC Name]
2-Hydroperoxy-2-méthyl-3-butén-1-ol [French] [ACD/IUPAC Name]
3-Buten-1-ol, 2-hydroperoxy-2-methyl- [ACD/Index 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: 255.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 57.2±6.0 kJ/mol
Flash Point: 108.0±25.4 °C
Index of Refraction: 1.465
Molar Refractivity: 29.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.27
ACD/KOC (pH 5.5): 62.49
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.27
ACD/KOC (pH 7.4): 62.49
Polar Surface Area: 50 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 107.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement