ChemSpider 2D Image | 3-Hydroxy(5,5,5-~2~H_3_)pentanoic acid | C5H7D3O3

3-Hydroxy(5,5,5-2H3)pentanoic acid

  • Molecular FormulaC5H7D3O3
  • Average mass121.150 Da
  • Monoisotopic mass121.081825 Da
  • ChemSpider ID58782425

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy(5,5,5-2H3)pentanoic acid [ACD/IUPAC Name]
3-Hydroxy(5,5,5-2H3)pentansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy(5,5,5-2H3)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic-5,5,5-d3 acid, 3-hydroxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 253.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 57.0±6.0 kJ/mol
Flash Point: 121.2±19.1 °C
Index of Refraction: 1.458
Molar Refractivity: 28.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): -3.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 103.6±3.0 cm3

Click to predict properties on the Chemicalize site


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