ChemSpider 2D Image | 6-[(2,3-Dihydroxypropyl)sulfonyl]hexanoic acid | C9H18O6S

6-[(2,3-Dihydroxypropyl)sulfonyl]hexanoic acid

  • Molecular FormulaC9H18O6S
  • Average mass254.301 Da
  • Monoisotopic mass254.082413 Da
  • ChemSpider ID74424979

More details:

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

6-[(2,3-Dihydroxypropyl)sulfonyl]hexanoic acid [ACD/IUPAC Name]
6-[(2,3-Dihydroxypropyl)sulfonyl]hexansäure [German] [ACD/IUPAC Name]
Acide 6-[(2,3-dihydroxypropyl)sulfonyl]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[(2,3-dihydroxypropyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 309.7±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 57.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 188.1±3.0 cm3

Click to predict properties on the Chemicalize site


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