ChemSpider 2D Image | 2-(3-Butyn-1-yl)-3-methyl-1-benzofuran-4-carboxylate | C14H11O3

2-(3-Butyn-1-yl)-3-methyl-1-benzofuran-4-carboxylate

  • Molecular FormulaC14H11O3
  • Average mass227.236 Da
  • Monoisotopic mass227.071365 Da
  • ChemSpider ID24826399

  • Charge - Charge

More details:

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

2-(3-Butin-1-yl)-3-methyl-1-benzofuran-4-carboxylat [German] [ACD/IUPAC Name]
2-(3-Butyn-1-yl)-3-methyl-1-benzofuran-4-carboxylate [ACD/IUPAC Name]
2-(3-Butyn-1-yl)-3-méthyl-1-benzofurane-4-carboxylate [French] [ACD/IUPAC Name]
4-Benzofurancarboxylic acid, 2-(3-butyn-1-yl)-3-methyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 407.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 200.0±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 4.70
ACD/KOC (pH 5.5): 25.09
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.05
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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