ChemSpider 2D Image | (2E)-3-Methyl-7-(~2~H_3_)methyl(8,8,8-~2~H_3_)-2,6-octadien-1-yl trihydrogen diphosphate | C10H14D6O7P2

(2E)-3-Methyl-7-(2H3)methyl(8,8,8-2H3)-2,6-octadien-1-yl trihydrogen diphosphate

  • Molecular FormulaC10H14D6O7P2
  • Average mass320.246 Da
  • Monoisotopic mass320.106079 Da
  • ChemSpider ID58778760

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-3-Methyl-7-(2H3)methyl(8,8,8-2H3)-2,6-octadien-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E)-3-Methyl-7-(2H3)methyl(8,8,8-2H3)-2,6-octadien-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(2E)-3-methyl-7-(methyl-d3)-2,6-octadien-1-yl-8,8,8-d3] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E)-3-méthyl-7-(2H3)méthyl(8,8,8-2H3)-2,6-octadién-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 484.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 246.7±31.5 °C
Index of Refraction: 1.510
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -4.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 234.0±3.0 cm3

Click to predict properties on the Chemicalize site


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