ChemSpider 2D Image | 2-Methyl-3-oxobutyl trihydrogen diphosphate | C5H12O8P2

2-Methyl-3-oxobutyl trihydrogen diphosphate

  • Molecular FormulaC5H12O8P2
  • Average mass262.091 Da
  • Monoisotopic mass262.000732 Da
  • ChemSpider ID23219135

More details:






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

2-Methyl-3-oxobutyl trihydrogen diphosphate [ACD/IUPAC Name]
2-Methyl-3-oxobutyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono(2-methyl-3-oxobutyl) ester [ACD/Index Name]
Trihydrogénodiphosphate de 2-méthyl-3-oxobutyle [French] [ACD/IUPAC Name]
2-methyl-3-butanon-1-yl pyrophosphate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 470.5±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 238.3±29.3 °C
Index of Refraction: 1.492
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -7.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 162.1±3.0 cm3

Click to predict properties on the Chemicalize site






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