ChemSpider 2D Image | O,O-Diethyl S-(hydroxymethyl) phosphorodithioate | C5H13O3PS2

O,O-Diethyl S-(hydroxymethyl) phosphorodithioate

  • Molecular FormulaC5H13O3PS2
  • Average mass216.259 Da
  • Monoisotopic mass216.004364 Da
  • ChemSpider ID67155395

More details:

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

O,O-Diethyl S-(hydroxymethyl) phosphorodithioate [ACD/IUPAC Name]
O,O-Diethyl-S-(hydroxymethyl)phosphorodithioat [German] [ACD/IUPAC Name]
Phosphorodithioate de O,O-diéthyle et de S-(hydroxyméthyle) [French] [ACD/IUPAC Name]
Phosphorodithioic acid, O,O-diethyl S-(hydroxymethyl) ester [ACD/Index Name]
O,O-diethyl S-hydroxymethyl phosphorodithioate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 262.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.1±6.0 kJ/mol
Flash Point: 112.7±27.9 °C
Index of Refraction: 1.539
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.39
ACD/KOC (pH 5.5): 268.75
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.39
ACD/KOC (pH 7.4): 268.75
Polar Surface Area: 106 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 167.3±3.0 cm3

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