ChemSpider 2D Image | 2-Mercapto-5-methylheptan-4-one | C8H16OS

2-Mercapto-5-methylheptan-4-one

  • Molecular FormulaC8H16OS
  • Average mass160.277 Da
  • Monoisotopic mass160.092178 Da
  • ChemSpider ID35036481

More details:






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

1416051-88-1 [RN]
26910448 [Beilstein]
2-Mercapto-5-methyl-4-heptanone
2-Mercapto-5-methylheptan-4-one [ACD/IUPAC Name]
4-Heptanone, 2-mercapto-5-methyl- [ACD/Index Name]
5-Methyl-2-sulfanyl-4-heptanon [German] [ACD/IUPAC Name]
5-Methyl-2-sulfanyl-4-heptanone [ACD/IUPAC Name]
5-Méthyl-2-sulfanyl-4-heptanone [French] [ACD/IUPAC Name]
SHY1&1VY2&1 [WLN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 219.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 86.4±22.6 °C
Index of Refraction: 1.457
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.41
ACD/KOC (pH 5.5): 352.63
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.36
ACD/KOC (pH 7.4): 351.95
Polar Surface Area: 56 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 172.5±3.0 cm3

Click to predict properties on the Chemicalize site






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