ChemSpider 2D Image | 6-(Heptylsulfanyl)hexanoic acid | C13H26O2S

6-(Heptylsulfanyl)hexanoic acid

  • Molecular FormulaC13H26O2S
  • Average mass246.409 Da
  • Monoisotopic mass246.165344 Da
  • ChemSpider ID13950391

More details:

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

6-(Heptylsulfanyl)hexanoic acid [ACD/IUPAC Name]
6-(Heptylsulfanyl)hexansäure [German] [ACD/IUPAC Name]
Acide 6-(heptylsulfanyl)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-(heptylthio)- [ACD/Index Name]
6-heptylthiohexanoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 370.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 177.6±23.2 °C
Index of Refraction: 1.483
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 567.32
ACD/KOC (pH 5.5): 1903.86
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 9.05
ACD/KOC (pH 7.4): 30.38
Polar Surface Area: 63 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 251.7±3.0 cm3

Click to predict properties on the Chemicalize site


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