ChemSpider 2D Image | 2-Isobutyl-2-[2-(propylsulfonyl)ethyl]-1,3-propanediol | C12H26O4S

2-Isobutyl-2-[2-(propylsulfonyl)ethyl]-1,3-propanediol

  • Molecular FormulaC12H26O4S
  • Average mass266.397 Da
  • Monoisotopic mass266.155182 Da
  • ChemSpider ID53313091

More details:

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

1,3-Propanediol, 2-(2-methylpropyl)-2-[2-(propylsulfonyl)ethyl]- [ACD/Index Name]
2-Isobutyl-2-[2-(propylsulfonyl)ethyl]-1,3-propandiol [German] [ACD/IUPAC Name]
2-Isobutyl-2-[2-(propylsulfonyl)ethyl]-1,3-propanediol [ACD/IUPAC Name]
2-Isobutyl-2-[2-(propylsulfonyl)éthyl]-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 464.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.6±6.0 kJ/mol
Flash Point: 234.4±25.9 °C
Index of Refraction: 1.483
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 89.64
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 89.64
Polar Surface Area: 83 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 243.1±3.0 cm3

Click to predict properties on the Chemicalize site


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