ChemSpider 2D Image | 2-[3-(2-{[3-(Tetradecylsulfanyl)propanoyl]oxy}ethoxy)phenoxy]ethyl laurate | C39H68O6S

2-[3-(2-{[3-(Tetradecylsulfanyl)propanoyl]oxy}ethoxy)phenoxy]ethyl laurate

  • Molecular FormulaC39H68O6S
  • Average mass665.019 Da
  • Monoisotopic mass664.473633 Da
  • ChemSpider ID57507010

More details:

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

2-[3-(2-{[3-(Tetradecylsulfanyl)propanoyl]oxy}ethoxy)phenoxy]ethyl laurate [ACD/IUPAC Name]
2-[3-(2-{[3-(Tetradecylsulfanyl)propanoyl]oxy}ethoxy)phenoxy]ethyllaurat [German] [ACD/IUPAC Name]
Dodecanoic acid, 2-[3-[2-[1-oxo-3-(tetradecylthio)propoxy]ethoxy]phenoxy]ethyl ester [ACD/Index Name]
Laurate de 2-[3-(2-{[3-(tétradécylsulfanyl)propanoyl]oxy}éthoxy)phénoxy]éthyle [French] [ACD/IUPAC Name]
2-[3-(2-{[3-(TETRADECYLSULFANYL)PROPANOYL]OXY}ETHOXY)PHENOXY]ETHYL DODECANOATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 704.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 331.4±18.1 °C
Index of Refraction: 1.493
Molar Refractivity: 194.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 13.97
ACD/LogD (pH 5.5): 14.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 96 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 670.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement