ChemSpider 2D Image | 2-{[(9-Oxodecyl)oxy]carbonyl}(~2~H_4_)benzoic acid | C18H20D4O5

2-{[(9-Oxodecyl)oxy]carbonyl}(2H4)benzoic acid

  • Molecular FormulaC18H20D4O5
  • Average mass324.405 Da
  • Monoisotopic mass324.187469 Da
  • ChemSpider ID107434254

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzene-d4-dicarboxylic acid, mono(9-oxodecyl) ester [ACD/Index Name]
2-{[(9-Oxodecyl)oxy]carbonyl}(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-{[(9-Oxodecyl)oxy]carbonyl}(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-{[(9-oxodécyl)oxy]carbonyl}(2H4)benzoïque [French] [ACD/IUPAC 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: 504.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 178.1±19.4 °C
Index of Refraction: 1.519
Molar Refractivity: 86.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 21.88
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.15
Polar Surface Area: 81 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

Click to predict properties on the Chemicalize site


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