ChemSpider 2D Image | S-Heptyl methanesulfonothioate | C8H18O2S2

S-Heptyl methanesulfonothioate

  • Molecular FormulaC8H18O2S2
  • Average mass210.357 Da
  • Monoisotopic mass210.074814 Da
  • ChemSpider ID28592793

More details:

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

Méthanesulfonothioate de S-heptyle [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, S-heptyl ester [ACD/Index Name]
S-Heptyl methanesulfonothioate [ACD/IUPAC Name]
S-Heptyl-methansulfonothioat [German] [ACD/IUPAC Name]
1-(METHANESULFONYLSULFANYL)HEPTANE
195443-62-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 336.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 157.3±19.3 °C
Index of Refraction: 1.484
Molar Refractivity: 55.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.20
ACD/KOC (pH 5.5): 1311.45
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.20
ACD/KOC (pH 7.4): 1311.45
Polar Surface Area: 68 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 195.6±3.0 cm3

Click to predict properties on the Chemicalize site


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