ChemSpider 2D Image | 6,6-Disulfanylhexyl dihydrogen phosphate | C6H15O4PS2

6,6-Disulfanylhexyl dihydrogen phosphate

  • Molecular FormulaC6H15O4PS2
  • Average mass246.285 Da
  • Monoisotopic mass246.014938 Da
  • ChemSpider ID57490562

More details:

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

1-Hexanol, 6,6-dimercapto-, dihydrogen phosphate [ACD/Index Name]
6,6-Disulfanylhexyl dihydrogen phosphate [ACD/IUPAC Name]
6,6-Disulfanylhexyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 6,6-disulfanylhexyle [French] [ACD/IUPAC Name]
(6,6-DISULFANYLHEXYL)OXYPHOSPHONIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 406.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.2±6.0 kJ/mol
Flash Point: 199.5±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -3.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 181.6±3.0 cm3

Click to predict properties on the Chemicalize site


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