ChemSpider 2D Image | 3-[(3-Hydroxypropyl)sulfinyl]-1,2-propanediol | C6H14O4S

3-[(3-Hydroxypropyl)sulfinyl]-1,2-propanediol

  • Molecular FormulaC6H14O4S
  • Average mass182.238 Da
  • Monoisotopic mass182.061279 Da
  • ChemSpider ID60167019

More details:

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

1,2-Propanediol, 3-[(3-hydroxypropyl)sulfinyl]- [ACD/Index Name]
3-[(3-Hydroxypropyl)sulfinyl]-1,2-propandiol [German] [ACD/IUPAC Name]
3-[(3-Hydroxypropyl)sulfinyl]-1,2-propanediol [ACD/IUPAC Name]
3-[(3-Hydroxypropyl)sulfinyl]-1,2-propanediol [French] [ACD/IUPAC 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: 509.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 262.2±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 43.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.84
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.89
Polar Surface Area: 97 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 80.5±3.0 dyne/cm
Molar Volume: 130.0±3.0 cm3

Click to predict properties on the Chemicalize site


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