ChemSpider 2D Image | 1-Sulfanyl-4-heptanol | C7H16OS

1-Sulfanyl-4-heptanol

  • Molecular FormulaC7H16OS
  • Average mass148.266 Da
  • Monoisotopic mass148.092178 Da
  • ChemSpider ID65064609

More details:






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

1-Sulfanyl-4-heptanol [German] [ACD/IUPAC Name]
1-Sulfanyl-4-heptanol [ACD/IUPAC Name]
1-Sulfanyl-4-heptanol [French] [ACD/IUPAC Name]
4-Heptanol, 1-mercapto- [ACD/Index Name]
1-Mercapto-4-heptanol
1-sulfanylheptan-4-ol
909256-29-7 [RN]
MFCD30159896

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

Density: 0.9±0.1 g/cm3
Boiling Point: 224.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.5±6.0 kJ/mol
Flash Point: 89.3±22.6 °C
Index of Refraction: 1.474
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.55
ACD/KOC (pH 5.5): 402.37
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.52
ACD/KOC (pH 7.4): 401.97
Polar Surface Area: 59 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 156.0±3.0 cm3

Click to predict properties on the Chemicalize site






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