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Search term: POHGVGUTLMBFBS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(2-Methyl-2-propanyl)sulfinyl]-1-butanol | C8H18O2S

4-[(2-Methyl-2-propanyl)sulfinyl]-1-butanol

  • Molecular FormulaC8H18O2S
  • Average mass178.292 Da
  • Monoisotopic mass178.102753 Da
  • ChemSpider ID57510637

More details:

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

1-Butanol, 4-[(1,1-dimethylethyl)sulfinyl]- [ACD/Index Name]
4-[(2-Methyl-2-propanyl)sulfinyl]-1-butanol [German] [ACD/IUPAC Name]
4-[(2-Methyl-2-propanyl)sulfinyl]-1-butanol [ACD/IUPAC Name]
4-[(2-Méthyl-2-propanyl)sulfinyl]-1-butanol [French] [ACD/IUPAC Name]
4-(2-METHYLPROPANE-2-SULFINYL)BUTAN-1-OL
62295-81-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 330.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.4±6.0 kJ/mol
Flash Point: 153.6±23.2 °C
Index of Refraction: 1.502
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 46.33
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 46.33
Polar Surface Area: 57 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 167.6±3.0 cm3

Click to predict properties on the Chemicalize site


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