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Search term: InChI=1S/C6H12O4/c1-6(2,8)3-5(7)4-10-9/h8-9H,3-4H2,1-2H3 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 1-Hydroperoxy-4-hydroxy-4-methyl-2-pentanone | C6H12O4

1-Hydroperoxy-4-hydroxy-4-methyl-2-pentanone

  • Molecular FormulaC6H12O4
  • Average mass148.157 Da
  • Monoisotopic mass148.073563 Da
  • ChemSpider ID33287211

More details:






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

1-Hydroperoxy-4-hydroxy-4-methyl-2-pentanon [German] [ACD/IUPAC Name]
1-Hydroperoxy-4-hydroxy-4-methyl-2-pentanone [ACD/IUPAC Name]
1-Hydroperoxy-4-hydroxy-4-méthyl-2-pentanone [French] [ACD/IUPAC Name]
2-Pentanone, 1-hydroperoxy-4-hydroxy-4-methyl- [ACD/Index Name]
1-HYDROPEROXY-4-HYDROXY-4-METHYLPENTAN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 296.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.2±6.0 kJ/mol
Flash Point: 123.9±15.3 °C
Index of Refraction: 1.462
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.20
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.75
Polar Surface Area: 67 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 126.1±3.0 cm3

Click to predict properties on the Chemicalize site






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