ChemSpider 2D Image | 5-oxo-2-(1,1,2,2,2-pentadeuterioethyl)hexanoic acid | C8H9D5O3

5-oxo-2-(1,1,2,2,2-pentadeuterioethyl)hexanoic acid

  • Molecular FormulaC8H9D5O3
  • Average mass163.226 Da
  • Monoisotopic mass163.125671 Da
  • ChemSpider ID8278995

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H5)Ethyl-5-oxohexansäure [German] [ACD/IUPAC Name]
Acide 2-(2H5)éthyl-5-oxohexanoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 291.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.5±6.0 kJ/mol
Flash Point: 144.6±16.3 °C
Index of Refraction: 1.445
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.90
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 152.7±3.0 cm3

Click to predict properties on the Chemicalize site


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