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ChemSpider 2D Image | (5,5-~2~H_2_)Hexanoic acid | C6H10D2O2

(5,5-2H2)Hexanoic acid

  • Molecular FormulaC6H10D2O2
  • Average mass118.171 Da
  • Monoisotopic mass118.096283 Da
  • ChemSpider ID24532154
  • Non-standard isotope - Non-standard isotope


More details:






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

(5,5-2H2)Hexanoic acid [ACD/IUPAC Name]
(5,5-2H2)Hexansäure [German] [ACD/IUPAC Name]
Acide (5,5-2H2)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic-5,5-d2 acid [ACD/Index Name]
55320-68-8 [RN]
Hexanoic-5,5-d2 Acid
Hexanoic-5,5-d2 acid(9CI)
n-Caproic acid

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

NSC 8266 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 204.6±3.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 104.4±0.0 °C
Index of Refraction: 1.428
Molar Refractivity: 31.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 2.57
ACD/KOC (pH 5.5): 40.63
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 122.2±3.0 cm3

Click to predict properties on the Chemicalize site






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