ChemSpider 2D Image | 2-Methyl-19-oxoicosanoic acid | C21H40O3

2-Methyl-19-oxoicosanoic acid

  • Molecular FormulaC21H40O3
  • Average mass340.540 Da
  • Monoisotopic mass340.297760 Da
  • ChemSpider ID30647267

More details:

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

1956366-72-5 [RN]
2-Methyl-19-oxoicosanoic acid [ACD/IUPAC Name]
2-Methyl-19-oxoicosansäure [German] [ACD/IUPAC Name]
Acide 2-méthyl-19-oxoicosanoïque [French] [ACD/IUPAC Name]
Eicosanoic acid, 2-methyl-19-oxo- [ACD/Index Name]
2-METHYL-19-OXOICOSANOIC ACID|2-METHYL-19-OXOICOSANOIC ACID

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

Density: 0.9±0.1 g/cm3
Boiling Point: 465.9±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.7±6.0 kJ/mol
Flash Point: 249.7±17.7 °C
Index of Refraction: 1.462
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 7096.89
ACD/KOC (pH 5.5): 12051.14
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 114.84
ACD/KOC (pH 7.4): 195.01
Polar Surface Area: 54 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 367.3±3.0 cm3

Click to predict properties on the Chemicalize site


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