ChemSpider 2D Image | 3-Hydroxy(3,4,4,5,5,6,6,7,7,8,8,8-~2~H_12_)octanoic acid | C8H4D12O3

3-Hydroxy(3,4,4,5,5,6,6,7,7,8,8,8-2H12)octanoic acid

  • Molecular FormulaC8H4D12O3
  • Average mass172.285 Da
  • Monoisotopic mass172.185272 Da
  • ChemSpider ID58783696

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy(3,4,4,5,5,6,6,7,7,8,8,8-2H12)octanoic acid [ACD/IUPAC Name]
3-Hydroxy(3,4,4,5,5,6,6,7,7,8,8,8-2H12)octansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy(3,4,4,5,5,6,6,7,7,8,8,8-2H12)octanoïque [French] [ACD/IUPAC Name]
Octanoic-3,4,4,5,5,6,6,7,7,8,8,8-d12 acid, 3-hydroxy- [ACD/Index Name]
1215622-76-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 288.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.2±6.0 kJ/mol
Flash Point: 142.4±19.1 °C
Index of Refraction: 1.463
Molar Refractivity: 42.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.54
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 153.1±3.0 cm3

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