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Search term: IGQBGUMGRVQYDB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ethyl 7-(1H-imidazol-1-yl)heptanoate | C12H20N2O2

Ethyl 7-(1H-imidazol-1-yl)heptanoate

  • Molecular FormulaC12H20N2O2
  • Average mass224.299 Da
  • Monoisotopic mass224.152481 Da
  • ChemSpider ID62982739

More details:

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

1H-Imidazole-1-heptanoic acid, ethyl ester [ACD/Index Name]
7-(1H-Imidazol-1-yl)heptanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 7-(1H-imidazol-1-yl)heptanoate [ACD/IUPAC Name]
Ethyl-7-(1H-imidazol-1-yl)heptanoat [German] [ACD/IUPAC Name]
68887-62-7 [RN]
Carbethoxyhexyl Imidazole

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

Density: 1.0±0.1 g/cm3
Boiling Point: 355.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 168.7±23.2 °C
Index of Refraction: 1.509
Molar Refractivity: 64.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.74
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 18.49
ACD/KOC (pH 7.4): 251.65
Polar Surface Area: 44 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 37.6±7.0 dyne/cm
Molar Volume: 215.7±7.0 cm3

Click to predict properties on the Chemicalize site


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