ChemSpider 2D Image | (2R)-3,3-Dimethyl-1-(methylsulfanyl)-2-butanol | C7H16OS

(2R)-3,3-Dimethyl-1-(methylsulfanyl)-2-butanol

  • Molecular FormulaC7H16OS
  • Average mass148.266 Da
  • Monoisotopic mass148.092178 Da
  • ChemSpider ID61036555

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3,3-Dimethyl-1-(methylsulfanyl)-2-butanol [German] [ACD/IUPAC Name]
(2R)-3,3-Dimethyl-1-(methylsulfanyl)-2-butanol [ACD/IUPAC Name]
(2R)-3,3-Diméthyl-1-(méthylsulfanyl)-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 3,3-dimethyl-1-(methylthio)-, (2R)- [ACD/Index Name]
1821815-40-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 216.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.7±6.0 kJ/mol
Flash Point: 106.1±18.5 °C
Index of Refraction: 1.475
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.71
ACD/KOC (pH 5.5): 226.71
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.71
ACD/KOC (pH 7.4): 226.71
Polar Surface Area: 46 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 156.0±3.0 cm3

Click to predict properties on the Chemicalize site


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