ChemSpider 2D Image | 4-Hydroxy-3-oxo-2-butanyl dihydrogen phosphate | C4H9O6P

4-Hydroxy-3-oxo-2-butanyl dihydrogen phosphate

  • Molecular FormulaC4H9O6P
  • Average mass184.084 Da
  • Monoisotopic mass184.013672 Da
  • ChemSpider ID61040586

More details:

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

2-Butanone, 1-hydroxy-3-(phosphonooxy)- [ACD/Index Name]
4-Hydroxy-3-oxo-2-butanyl dihydrogen phosphate [ACD/IUPAC Name]
4-Hydroxy-3-oxo-2-butanyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 4-hydroxy-3-oxo-2-butanyle [French] [ACD/IUPAC Name]
117625-91-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 392.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.3±6.0 kJ/mol
Flash Point: 191.3±29.6 °C
Index of Refraction: 1.499
Molar Refractivity: 33.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -5.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 115.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement