ChemSpider 2D Image | Ethyl 5,6-dimethoxy-1-benzothiophene-2-carboxylate | C13H14O4S

Ethyl 5,6-dimethoxy-1-benzothiophene-2-carboxylate

  • Molecular FormulaC13H14O4S
  • Average mass266.313 Da
  • Monoisotopic mass266.061279 Da
  • ChemSpider ID24670739

More details:

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

1207537-68-5 [RN]
5,6-Diméthoxy-1-benzothiophène-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 5,6-dimethoxy-, ethyl ester [ACD/Index Name]
Ethyl 5,6-dimethoxy-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Ethyl 5,6-dimethoxybenzo[b]thiophene-2-carboxylate
Ethyl-5,6-dimethoxy-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
MFCD29138098

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

Density: 1.2±0.1 g/cm3
Boiling Point: 380.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.1±26.5 °C
Index of Refraction: 1.585
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 252.15
ACD/KOC (pH 5.5): 1822.67
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 252.15
ACD/KOC (pH 7.4): 1822.67
Polar Surface Area: 73 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 215.4±3.0 cm3

Click to predict properties on the Chemicalize site


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