ChemSpider 2D Image | Methyl 2-(phenylsulfanyl)hexadecanoate | C23H38O2S

Methyl 2-(phenylsulfanyl)hexadecanoate

  • Molecular FormulaC23H38O2S
  • Average mass378.612 Da
  • Monoisotopic mass378.259247 Da
  • ChemSpider ID28671103

More details:

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

2-(Phénylsulfanyl)hexadécanoate de méthyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 2-(phenylthio)-, methyl ester [ACD/Index Name]
Methyl 2-(phenylsulfanyl)hexadecanoate [ACD/IUPAC Name]
Methyl-2-(phenylsulfanyl)hexadecanoat [German] [ACD/IUPAC Name]
111722-89-5 [RN]
Methyl 2-(phenylthio)hexadecanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 464.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 208.5±12.0 °C
Index of Refraction: 1.510
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 9.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3657041.50
ACD/LogD (pH 7.4): 9.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3657041.50
Polar Surface Area: 52 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 385.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement