ChemSpider 2D Image | (12,12,13,13-~2~H_4_)Docosanoic acid | C22H40D4O2

(12,12,13,13-2H4)Docosanoic acid

  • Molecular FormulaC22H40D4O2
  • Average mass344.608 Da
  • Monoisotopic mass344.359253 Da
  • ChemSpider ID24533396

  • Non-standard isotope - Non-standard isotope

More details:

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

(12,12,13,13-2H4)Docosanoic acid [ACD/IUPAC Name]
(12,12,13,13-2H4)Docosansäure [German] [ACD/IUPAC Name]
Acide (12,12,13,13-2H4)docosanoïque [French] [ACD/IUPAC Name]
Docosanoic-12,12,13,13-d4 acid [ACD/Index Name]
1219804-98-4 [RN]
behenic acid [Wiki]
DOCOSANOIC ACID (12,12,13,13-D4, 98%)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 391.8±5.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 176.3±12.5 °C
Index of Refraction: 1.459
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 10.34
ACD/LogD (pH 5.5): 8.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 674186.69
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 32418.10
ACD/KOC (pH 7.4): 10815.64
Polar Surface Area: 37 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 386.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement