ChemSpider 2D Image | S-(7-Methoxy-3,7-dimethyloctyl) ethanethioate | C13H26O2S

S-(7-Methoxy-3,7-dimethyloctyl) ethanethioate

  • Molecular FormulaC13H26O2S
  • Average mass246.409 Da
  • Monoisotopic mass246.165344 Da
  • ChemSpider ID28674869

More details:

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

Éthanethioate de S-(7-méthoxy-3,7-diméthyloctyle) [French] [ACD/IUPAC Name]
Ethanethioic acid, S-(7-methoxy-3,7-dimethyloctyl) ester [ACD/Index Name]
S-(7-Methoxy-3,7-dimethyloctyl) ethanethioate [ACD/IUPAC Name]
S-(7-Methoxy-3,7-dimethyloctyl)-ethanthioat [German] [ACD/IUPAC Name]
1-[(7-METHOXY-3,7-DIMETHYLOCTYL)SULFANYL]ETHANONE
113869-67-3 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 305.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 125.2±11.2 °C
Index of Refraction: 1.464
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 672.08
ACD/KOC (pH 5.5): 3676.79
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 672.08
ACD/KOC (pH 7.4): 3676.79
Polar Surface Area: 52 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 261.0±3.0 cm3

Click to predict properties on the Chemicalize site


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