ChemSpider 2D Image | 1-(Butylsulfanyl)-3-methoxy-2-propanol | C8H18O2S

1-(Butylsulfanyl)-3-methoxy-2-propanol

  • Molecular FormulaC8H18O2S
  • Average mass178.292 Da
  • Monoisotopic mass178.102753 Da
  • ChemSpider ID44542049

More details:






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

1-(Butylsulfanyl)-3-methoxy-2-propanol [German] [ACD/IUPAC Name]
1-(Butylsulfanyl)-3-methoxy-2-propanol [ACD/IUPAC Name]
1-(Butylsulfanyl)-3-méthoxy-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(butylthio)-3-methoxy- [ACD/Index Name]
1-(BUTYLSULFANYL)-3-METHOXYPROPAN-2-OL
62042-97-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 276.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.7±6.0 kJ/mol
Flash Point: 120.7±23.2 °C
Index of Refraction: 1.475
Molar Refractivity: 50.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.99
ACD/KOC (pH 5.5): 286.30
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 18.99
ACD/KOC (pH 7.4): 286.30
Polar Surface Area: 55 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 178.8±3.0 cm3

Click to predict properties on the Chemicalize site






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