ChemSpider 2D Image | Dimethyl 2-(methylsulfanyl)nonanedioate | C12H22O4S

Dimethyl 2-(methylsulfanyl)nonanedioate

  • Molecular FormulaC12H22O4S
  • Average mass262.366 Da
  • Monoisotopic mass262.123871 Da
  • ChemSpider ID38000217

More details:

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

2-(Méthylsulfanyl)nonanedioate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2-(methylsulfanyl)nonanedioate [ACD/IUPAC Name]
Dimethyl-2-(methylsulfanyl)nonandioat [German] [ACD/IUPAC Name]
Nonanedioic acid, 2-(methylthio)-, dimethyl ester [ACD/Index Name]
1,9-DIMETHYL 2-(METHYLSULFANYL)NONANEDIOATE
59768-17-1 [RN]
dimethyl 2-(methylthio)nonanedioate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 318.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 135.7±13.1 °C
Index of Refraction: 1.470
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.42
ACD/KOC (pH 5.5): 1524.29
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.42
ACD/KOC (pH 7.4): 1524.29
Polar Surface Area: 78 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 247.9±3.0 cm3

Click to predict properties on the Chemicalize site


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