ChemSpider 2D Image | 2-(Isobutylsulfanyl)ethyl 3,4,5-trimethoxybenzoate | C16H24O5S

2-(Isobutylsulfanyl)ethyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC16H24O5S
  • Average mass328.424 Da
  • Monoisotopic mass328.134430 Da
  • ChemSpider ID30393052

More details:

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

2-(Isobutylsulfanyl)ethyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
2-(Isobutylsulfanyl)ethyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de 2-(isobutylsulfanyl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 2-[(2-methylpropyl)thio]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: 401.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 182.4±10.9 °C
Index of Refraction: 1.514
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.04
ACD/KOC (pH 5.5): 1914.35
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.04
ACD/KOC (pH 7.4): 1914.35
Polar Surface Area: 79 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 296.2±3.0 cm3

Click to predict properties on the Chemicalize site


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