ChemSpider 2D Image | Methyl 3-{[3-(3,5-dimethylphenoxy)propyl]sulfanyl}-2-methylpropanoate | C16H24O3S

Methyl 3-{[3-(3,5-dimethylphenoxy)propyl]sulfanyl}-2-methylpropanoate

  • Molecular FormulaC16H24O3S
  • Average mass296.425 Da
  • Monoisotopic mass296.144623 Da
  • ChemSpider ID48516034

More details:

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

3-{[3-(3,5-Diméthylphénoxy)propyl]sulfanyl}-2-méthylpropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[3-(3,5-dimethylphenoxy)propyl]sulfanyl}-2-methylpropanoate [ACD/IUPAC Name]
Methyl-3-{[3-(3,5-dimethylphenoxy)propyl]sulfanyl}-2-methylpropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[3-(3,5-dimethylphenoxy)propyl]thio]-2-methyl-, methyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 414.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 193.7±16.7 °C
Index of Refraction: 1.519
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1229.64
ACD/KOC (pH 5.5): 5665.80
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1229.64
ACD/KOC (pH 7.4): 5665.80
Polar Surface Area: 61 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 279.4±3.0 cm3

Click to predict properties on the Chemicalize site


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