ChemSpider 2D Image | 2-[2-(Ethylsulfanyl)ethyl]-2-isobutyl-1,3-propanediol | C11H24O2S

2-[2-(Ethylsulfanyl)ethyl]-2-isobutyl-1,3-propanediol

  • Molecular FormulaC11H24O2S
  • Average mass220.372 Da
  • Monoisotopic mass220.149704 Da
  • ChemSpider ID42122008

More details:

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

1,3-Propanediol, 2-[2-(ethylthio)ethyl]-2-(2-methylpropyl)- [ACD/Index Name]
2-[2-(Ethylsulfanyl)ethyl]-2-isobutyl-1,3-propandiol [German] [ACD/IUPAC Name]
2-[2-(Ethylsulfanyl)ethyl]-2-isobutyl-1,3-propanediol [ACD/IUPAC Name]
2-[2-(Éthylsulfanyl)éthyl]-2-isobutyl-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 351.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 69.0±6.0 kJ/mol
Flash Point: 170.9±23.8 °C
Index of Refraction: 1.495
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.30
ACD/KOC (pH 5.5): 464.14
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.30
ACD/KOC (pH 7.4): 464.14
Polar Surface Area: 66 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 219.5±3.0 cm3

Click to predict properties on the Chemicalize site


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