ChemSpider 2D Image | (12,12,12-~2~H_3_)Dodecanoic acid | C12H21D3O2

(12,12,12-2H3)Dodecanoic acid

  • Molecular FormulaC12H21D3O2
  • Average mass203.336 Da
  • Monoisotopic mass203.196457 Da
  • ChemSpider ID17341007

  • Non-standard isotope - Non-standard isotope

More details:

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

(12,12,12-2H3)Dodecanoic acid [ACD/IUPAC Name]
(12,12,12-2H3)Dodecansäure [German] [ACD/IUPAC Name]
Acide (12,12,12-2H3)dodécanoïque [French] [ACD/IUPAC Name]
Dodecanoic-12,12,12-d3 acid [ACD/Index Name]
79050-22-9 [RN]
Dodecanoic acid-12,12,12-d3
Dodecanoic-12,12,12-d3 Acid
DODECANOIC-12,12,12-D3ACID
Lauric acid-12,12,12-d3

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

485608_ALDRICH [DBID]
UN 2789 [DBID] [ACD/IUPAC Name]
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      44-46 °C (Literature) Indofine [71-1203] , [71-1203]
      44-46 °C (Literature) Indofine [71-1203] , [71-1203] , [71-1203]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 296.1±3.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.6±3.0 kJ/mol
Flash Point: 134.1±11.9 °C
Index of Refraction: 1.448
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 342.04
ACD/KOC (pH 5.5): 1348.75
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 5.49
ACD/KOC (pH 7.4): 21.65
Polar Surface Area: 37 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 221.2±3.0 cm3

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