ChemSpider 2D Image | 1,4-Bis(methylsulfonyl)-1,1-butanediol | C6H14O6S2

1,4-Bis(methylsulfonyl)-1,1-butanediol

  • Molecular FormulaC6H14O6S2
  • Average mass246.302 Da
  • Monoisotopic mass246.023178 Da
  • ChemSpider ID26995151

More details:

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

1,1-Butanediol, 1,4-bis(methylsulfonyl)- [ACD/Index Name]
1,4-Bis(methylsulfonyl)-1,1-butandiol [German] [ACD/IUPAC Name]
1,4-Bis(methylsulfonyl)-1,1-butanediol [ACD/IUPAC Name]
1,4-Bis(méthylsulfonyl)-1,1-butanediol [French] [ACD/IUPAC Name]
1,4-bis(methansulfonyl)-butandiol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 551.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 287.4±30.1 °C
Index of Refraction: 1.526
Molar Refractivity: 50.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.60
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.28
Polar Surface Area: 126 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 164.7±3.0 cm3

Click to predict properties on the Chemicalize site


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