ChemSpider 2D Image | 2-[(2-Hydroperoxy-2-butanyl)peroxy]-2-butanol | C8H18O5

2-[(2-Hydroperoxy-2-butanyl)peroxy]-2-butanol

  • Molecular FormulaC8H18O5
  • Average mass194.225 Da
  • Monoisotopic mass194.115417 Da
  • ChemSpider ID57504986

More details:






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

2-[(2-Hydroperoxy-2-butanyl)peroxy]-2-butanol [German] [ACD/IUPAC Name]
2-[(2-Hydroperoxy-2-butanyl)peroxy]-2-butanol [ACD/IUPAC Name]
2-[(2-Hydroperoxy-2-butanyl)peroxy]-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 2-[(1-hydroperoxy-1-methylpropyl)dioxy]- [ACD/Index Name]
2-[(2-Hydroperoxybutan-2-yl)peroxy]butan-2-ol
78-56-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 262.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.1±6.0 kJ/mol
Flash Point: 112.6±23.2 °C
Index of Refraction: 1.454
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.44
ACD/KOC (pH 5.5): 401.26
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.43
ACD/KOC (pH 7.4): 401.24
Polar Surface Area: 68 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 174.8±3.0 cm3

Click to predict properties on the Chemicalize site






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