ChemSpider 2D Image | 11-[(2,3,4,5,6-~2~H_5_)Cycloheptyl]undecanoic acid | C18H29D5O2

11-[(2,3,4,5,6-2H5)Cycloheptyl]undecanoic acid

  • Molecular FormulaC18H29D5O2
  • Average mass287.492 Da
  • Monoisotopic mass287.287262 Da
  • ChemSpider ID8764761

  • Non-standard isotope - Non-standard isotope

More details:

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

11-[(2,3,4,5,6-2H5)Cycloheptyl]undecanoic acid [ACD/IUPAC Name]
11-[(2,3,4,5,6-2H5)Cycloheptyl]undecansäure [German] [ACD/IUPAC Name]
Acide 11-[(2,3,4,5,6-2H5)cycloheptyl]undécanoïque [French] [ACD/IUPAC Name]
Cycloheptane-2,3,4,5,6-d5-undecanoic acid [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 408.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.5±6.0 kJ/mol
Flash Point: 185.4±11.2 °C
Index of Refraction: 1.469
Molar Refractivity: 84.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 10929.34
ACD/KOC (pH 5.5): 16074.45
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 175.33
ACD/KOC (pH 7.4): 257.87
Polar Surface Area: 37 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 305.0±3.0 cm3

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