ChemSpider 2D Image | (2,2,3-~2~H_3_)Heptanoic acid | C7H11D3O2

(2,2,3-2H3)Heptanoic acid

  • Molecular FormulaC7H11D3O2
  • Average mass133.203 Da
  • Monoisotopic mass133.118210 Da
  • ChemSpider ID25933455
  • Non-standard isotope - Non-standard isotope


More details:






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

(2,2,3-2H3)Heptanoic acid [ACD/IUPAC Name]
(2,2,3-2H3)Heptansäure [German] [ACD/IUPAC Name]
2,2,3-trideuterioheptanoic acid
Acide (2,2,3-2H3)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic-2,2,3-d3 acid [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 222.6±3.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 99.2±11.9 °C
Index of Refraction: 1.433
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 6.29
ACD/KOC (pH 5.5): 77.14
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 37 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 138.7±3.0 cm3

Click to predict properties on the Chemicalize site






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