ChemSpider 2D Image | Methyl 7-{[(4-methylphenyl)sulfonyl]oxy}heptanoate | C15H22O5S

Methyl 7-{[(4-methylphenyl)sulfonyl]oxy}heptanoate

  • Molecular FormulaC15H22O5S
  • Average mass314.397 Da
  • Monoisotopic mass314.118805 Da
  • ChemSpider ID28671715

More details:

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

7-{[(4-Méthylphényl)sulfonyl]oxy}heptanoate de méthyle [French] [ACD/IUPAC Name]
Heptanoic acid, 7-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester [ACD/Index Name]
Methyl 7-{[(4-methylphenyl)sulfonyl]oxy}heptanoate [ACD/IUPAC Name]
Methyl-7-{[(4-methylphenyl)sulfonyl]oxy}heptanoat [German] [ACD/IUPAC Name]
112052-43-4 [RN]
Methyl 7-(tosyloxy)heptanoate
Methyl 7-[(4-methylbenzene-1-sulfonyl)oxy]heptanoate
METHYL 7-[(4-METHYLBENZENESULFONYL)OXY]HEPTANOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 427.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.5±24.0 °C
Index of Refraction: 1.504
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.70
ACD/KOC (pH 5.5): 971.62
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.70
ACD/KOC (pH 7.4): 971.62
Polar Surface Area: 78 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 272.9±3.0 cm3

Click to predict properties on the Chemicalize site


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