ChemSpider 2D Image | Methyl (~2~H_21_)undecanoate | C12H3D21O2

Methyl (2H21)undecanoate

  • Molecular FormulaC12H3D21O2
  • Average mass221.447 Da
  • Monoisotopic mass221.309448 Da
  • ChemSpider ID24533220

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H21)Undécanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2H21)undecanoate [ACD/IUPAC Name]
Methyl-(2H21)undecanoat [German] [ACD/IUPAC Name]
Undecanoic-d21 acid, methyl ester [ACD/Index Name]
1219804-96-2 [RN]
Methyl Hendecanoate
Methyl Undecanoate-d21

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

Density: 0.9±0.1 g/cm3
Boiling Point: 246.2±3.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 109.4±0.0 °C
Index of Refraction: 1.430
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3953.24
ACD/KOC (pH 5.5): 13070.52
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3953.24
ACD/KOC (pH 7.4): 13070.52
Polar Surface Area: 26 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 29.1±3.0 dyne/cm
Molar Volume: 230.1±3.0 cm3

Click to predict properties on the Chemicalize site


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