ChemSpider 2D Image | 3-Oxopentyl trihydrogen diphosphate | C5H12O8P2

3-Oxopentyl trihydrogen diphosphate

  • Molecular FormulaC5H12O8P2
  • Average mass262.091 Da
  • Monoisotopic mass262.000732 Da
  • ChemSpider ID23219124

More details:






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

3-Oxopentyl trihydrogen diphosphate [ACD/IUPAC Name]
3-Oxopentyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono(3-oxopentyl) ester [ACD/Index Name]
Trihydrogénodiphosphate de 3-oxopentyle [French] [ACD/IUPAC Name]
3-pentanon-1-yl-pyrophosphate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 479.3±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.4±6.0 kJ/mol
Flash Point: 243.7±29.3 °C
Index of Refraction: 1.494
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -2.37
ACD/LogD (pH 5.5): -7.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 161.7±3.0 cm3

Click to predict properties on the Chemicalize site






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