ChemSpider 2D Image | 7-(Methylsulfanyl)heptanoic acid | C8H16O2S

7-(Methylsulfanyl)heptanoic acid

  • Molecular FormulaC8H16O2S
  • Average mass176.276 Da
  • Monoisotopic mass176.087097 Da
  • ChemSpider ID28670787

More details:

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

7-(Methylsulfanyl)heptanoic acid [ACD/IUPAC Name]
7-(Methylsulfanyl)heptansäure [German] [ACD/IUPAC Name]
Acide 7-(méthylsulfanyl)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 7-(methylthio)- [ACD/Index Name]
111261-32-6 [RN]
7-Methylsulfanylheptanoic acid
8-thianonanoic acid
MFCD20641744

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

Density: 1.0±0.1 g/cm3
Boiling Point: 295.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.8±6.0 kJ/mol
Flash Point: 132.3±22.6 °C
Index of Refraction: 1.487
Molar Refractivity: 48.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 6.98
ACD/KOC (pH 5.5): 82.43
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 63 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 169.2±3.0 cm3

Click to predict properties on the Chemicalize site


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