ChemSpider 2D Image | 4-{[3-(Ethylsulfanyl)tetradecyl]oxy}benzoic acid | C23H38O3S

4-{[3-(Ethylsulfanyl)tetradecyl]oxy}benzoic acid

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID34253510

More details:






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

4-{[3-(Ethylsulfanyl)tetradecyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
4-{[3-(Ethylsulfanyl)tetradecyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 4-{[3-(éthylsulfanyl)tétradécyl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-(ethylthio)tetradecyl]oxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 529.3±30.0 °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: 273.9±24.6 °C
Index of Refraction: 1.517
Molar Refractivity: 117.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 8.28
ACD/BCF (pH 5.5): 634957.81
ACD/KOC (pH 5.5): 245153.80
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 13988.70
ACD/KOC (pH 7.4): 5400.96
Polar Surface Area: 72 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 387.9±3.0 cm3

Click to predict properties on the Chemicalize site






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