ChemSpider 2D Image | S-[7-Hydroxy-6,6-bis(hydroxymethyl)heptyl] ethanethioate | C11H22O4S

S-[7-Hydroxy-6,6-bis(hydroxymethyl)heptyl] ethanethioate

  • Molecular FormulaC11H22O4S
  • Average mass250.355 Da
  • Monoisotopic mass250.123886 Da
  • ChemSpider ID26668101

More details:

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

Éthanethioate de S-[7-hydroxy-6,6-bis(hydroxyméthyl)heptyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[7-hydroxy-6,6-bis(hydroxymethyl)heptyl] ester [ACD/Index Name]
S-[7-Hydroxy-6,6-bis(hydroxymethyl)heptyl] ethanethioate [ACD/IUPAC Name]
S-[7-Hydroxy-6,6-bis(hydroxymethyl)heptyl]-ethanthioat [German] [ACD/IUPAC Name]
7-(acetylthio)-2,2-bis(hydroxymethyl)heptan-1-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 435.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 217.3±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.18
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 50.18
Polar Surface Area: 103 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 213.8±3.0 cm3

Click to predict properties on the Chemicalize site


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