ChemSpider 2D Image | (1E)-3-Methyl-1-buten-1-yl trihydrogen diphosphate | C5H12O7P2

(1E)-3-Methyl-1-buten-1-yl trihydrogen diphosphate

  • Molecular FormulaC5H12O7P2
  • Average mass246.092 Da
  • Monoisotopic mass246.005829 Da
  • ChemSpider ID95785927

More details:

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

(1E)-3-Methyl-1-buten-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(1E)-3-Methyl-1-buten-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(1E)-3-methyl-1-buten-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (1E)-3-méthyl-1-butén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 409.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 201.7±24.0 °C
Index of Refraction: 1.505
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -6.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 158.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement