ChemSpider 2D Image | 4-(Methylsulfanyl)phenyl pentadecyl glutarate | C27H44O4S

4-(Methylsulfanyl)phenyl pentadecyl glutarate

  • Molecular FormulaC27H44O4S
  • Average mass464.701 Da
  • Monoisotopic mass464.296021 Da
  • ChemSpider ID29743814

More details:

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

4-(Methylsulfanyl)phenyl pentadecyl glutarate [ACD/IUPAC Name]
4-(Methylsulfanyl)phenyl-pentadecylglutarat [German] [ACD/IUPAC Name]
Glutarate de 4-(méthylsulfanyl)phényle et de pentadécyle [French] [ACD/IUPAC Name]
Pentanedioic acid, 4-(methylthio)phenyl pentadecyl ester [ACD/Index Name]
Glutaric acid, 4-(methylthio)benzyl pentadecyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 563.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 264.2±14.0 °C
Index of Refraction: 1.513
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 9.99
ACD/LogD (pH 5.5): 9.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6278713.00
ACD/LogD (pH 7.4): 9.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6278713.00
Polar Surface Area: 78 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 451.8±5.0 cm3

Click to predict properties on the Chemicalize site


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