ChemSpider 2D Image | 2-[3-(Ethylsulfonyl)propyl]-2-methyl-1,3-propanediol | C9H20O4S

2-[3-(Ethylsulfonyl)propyl]-2-methyl-1,3-propanediol

  • Molecular FormulaC9H20O4S
  • Average mass224.318 Da
  • Monoisotopic mass224.108231 Da
  • ChemSpider ID52112571

More details:

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

1,3-Propanediol, 2-[3-(ethylsulfonyl)propyl]-2-methyl- [ACD/Index Name]
2-[3-(Ethylsulfonyl)propyl]-2-methyl-1,3-propandiol [German] [ACD/IUPAC Name]
2-[3-(Ethylsulfonyl)propyl]-2-methyl-1,3-propanediol [ACD/IUPAC Name]
2-[3-(Éthylsulfonyl)propyl]-2-méthyl-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 444.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 222.6±25.9 °C
Index of Refraction: 1.487
Molar Refractivity: 55.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.61
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.61
Polar Surface Area: 83 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 193.2±3.0 cm3

Click to predict properties on the Chemicalize site


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