ChemSpider 2D Image | 3-Cyano-2-methyl-2-propen-1-yl stearate | C23H41NO2

3-Cyano-2-methyl-2-propen-1-yl stearate

  • Molecular FormulaC23H41NO2
  • Average mass363.577 Da
  • Monoisotopic mass363.313721 Da
  • ChemSpider ID28698280

More details:

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

3-Cyan-2-methyl-2-propen-1-ylstearat [German] [ACD/IUPAC Name]
3-Cyano-2-methyl-2-propen-1-yl stearate [ACD/IUPAC Name]
Octadecanoic acid, 3-cyano-2-methyl-2-propen-1-yl ester [ACD/Index Name]
Stéarate de 3-cyano-2-méthyl-2-propén-1-yle [French] [ACD/IUPAC Name]
3-CYANO-2-METHYLPROP-2-EN-1-YL OCTADECANOATE
89200-30-6 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 478.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 239.7±10.8 °C
Index of Refraction: 1.465
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 9.45
ACD/LogD (pH 5.5): 9.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2340820.25
ACD/LogD (pH 7.4): 9.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2340820.25
Polar Surface Area: 50 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 398.5±3.0 cm3

Click to predict properties on the Chemicalize site


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