ChemSpider 2D Image | Ethyl 1-benzothiophene-7-carboxylate | C11H10O2S

Ethyl 1-benzothiophene-7-carboxylate

  • Molecular FormulaC11H10O2S
  • Average mass206.261 Da
  • Monoisotopic mass206.040146 Da
  • ChemSpider ID24609665

More details:

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

1-Benzothiophène-7-carboxylate d'éthyle [French] [ACD/IUPAC Name]
959632-57-6 [RN]
Benzo[b]thiophene-7-carboxylic acid, ethyl ester [ACD/Index Name]
Ethyl 1-benzothiophene-7-carboxylate [ACD/IUPAC Name]
Ethyl benzo[b]thiophene-7-carboxylate
Ethyl-1-benzothiophen-7-carboxylat [German] [ACD/IUPAC Name]
[959632-57-6] [RN]
ethylbenzo[b]thiophene-7-carboxylate
MFCD12756033 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 318.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 146.3±20.4 °C
Index of Refraction: 1.621
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 448.40
ACD/KOC (pH 5.5): 2752.12
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 448.40
ACD/KOC (pH 7.4): 2752.12
Polar Surface Area: 55 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 167.4±3.0 cm3

Click to predict properties on the Chemicalize site


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