ChemSpider 2D Image | 2,3-Dimethoxybenzyl 2-methoxy-4-(methylsulfanyl)benzoate | C18H20O5S

2,3-Dimethoxybenzyl 2-methoxy-4-(methylsulfanyl)benzoate

  • Molecular FormulaC18H20O5S
  • Average mass348.413 Da
  • Monoisotopic mass348.103149 Da
  • ChemSpider ID21691733

More details:

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

2,3-Dimethoxybenzyl 2-methoxy-4-(methylsulfanyl)benzoate [ACD/IUPAC Name]
2,3-Dimethoxybenzyl-2-methoxy-4-(methylsulfanyl)benzoat [German] [ACD/IUPAC Name]
2-Méthoxy-4-(méthylsulfanyl)benzoate de 2,3-diméthoxybenzyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-methoxy-4-(methylthio)-, (2,3-dimethoxyphenyl)methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 236.1±16.7 °C
Index of Refraction: 1.583
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 940.55
ACD/KOC (pH 5.5): 4676.79
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 940.55
ACD/KOC (pH 7.4): 4676.79
Polar Surface Area: 79 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 282.2±5.0 cm3

Click to predict properties on the Chemicalize site


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