ChemSpider 2D Image | 2-(Ethylsulfanyl)ethyl 2,3,4-trimethoxybenzoate | C14H20O5S

2-(Ethylsulfanyl)ethyl 2,3,4-trimethoxybenzoate

  • Molecular FormulaC14H20O5S
  • Average mass300.371 Da
  • Monoisotopic mass300.103149 Da
  • ChemSpider ID30307814

More details:

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

2-(Ethylsulfanyl)ethyl 2,3,4-trimethoxybenzoate [ACD/IUPAC Name]
2-(Ethylsulfanyl)ethyl-2,3,4-trimethoxybenzoat [German] [ACD/IUPAC Name]
2,3,4-Triméthoxybenzoate de 2-(éthylsulfanyl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,3,4-trimethoxy-, 2-(ethylthio)ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 205.5±16.7 °C
Index of Refraction: 1.520
Molar Refractivity: 80.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.81
ACD/KOC (pH 5.5): 835.60
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.81
ACD/KOC (pH 7.4): 835.60
Polar Surface Area: 79 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 262.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement