ChemSpider 2D Image | 3-[1-(Ethoxycarbonyl)-2-oxocyclododecyl]propanoic acid | C18H30O5

3-[1-(Ethoxycarbonyl)-2-oxocyclododecyl]propanoic acid

  • Molecular FormulaC18H30O5
  • Average mass326.428 Da
  • Monoisotopic mass326.209320 Da
  • ChemSpider ID35783617

More details:

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

3-[1-(Ethoxycarbonyl)-2-oxocyclododecyl]propanoic acid [ACD/IUPAC Name]
3-[1-(Ethoxycarbonyl)-2-oxocyclododecyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[1-(éthoxycarbonyl)-2-oxocyclododécyl]propanoïque [French] [ACD/IUPAC Name]
Cyclododecanepropanoic acid, 1-(ethoxycarbonyl)-2-oxo- [ACD/Index Name]
3-(1-(Ethoxycarbonyl)-2-oxocyclododecyl)propanoic acid
65886-67-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 477.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.2±6.0 kJ/mol
Flash Point: 164.0±15.3 °C
Index of Refraction: 1.469
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 54.70
ACD/KOC (pH 5.5): 330.18
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.19
Polar Surface Area: 81 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site


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