ChemSpider 2D Image | Methyl 8-(pentylsulfanyl)octanoate | C14H28O2S

Methyl 8-(pentylsulfanyl)octanoate

  • Molecular FormulaC14H28O2S
  • Average mass260.436 Da
  • Monoisotopic mass260.181000 Da
  • ChemSpider ID28679797

More details:

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

8-(Pentylsulfanyl)octanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 8-(pentylsulfanyl)octanoate [ACD/IUPAC Name]
Methyl-8-(pentylsulfanyl)octanoat [German] [ACD/IUPAC Name]
Octanoic acid, 8-(pentylthio)-, methyl ester [ACD/Index Name]
125079-05-2 [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: 330.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 138.9±11.2 °C
Index of Refraction: 1.466
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9424.33
ACD/KOC (pH 5.5): 24342.11
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9424.33
ACD/KOC (pH 7.4): 24342.11
Polar Surface Area: 52 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

Click to predict properties on the Chemicalize site


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