ChemSpider 2D Image | Hydroxymethyl hydrogen sulfite | CH4O4S

Hydroxymethyl hydrogen sulfite

  • Molecular FormulaCH4O4S
  • Average mass112.105 Da
  • Monoisotopic mass111.983032 Da
  • ChemSpider ID61000740

More details:






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

Hydrogénosulfite d'hydroxyméthyle [French] [ACD/IUPAC Name]
Hydroxymethyl hydrogen sulfite [ACD/IUPAC Name]
Hydroxymethylhydrogensulfit [German] [ACD/IUPAC Name]
Methanediol, mono(hydrogen sulfite) [ACD/Index Name]
734471-38-6 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 385.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.4±6.0 kJ/mol
Flash Point: 187.1±28.4 °C
Index of Refraction: 1.649
Molar Refractivity: 20.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -4.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 8.1±0.5 10-24cm3
Surface Tension: 150.9±3.0 dyne/cm
Molar Volume: 55.9±3.0 cm3

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