ChemSpider 2D Image | MFCD10569941 | C8H13Cl2NO2

MFCD10569941

  • Molecular FormulaC8H13Cl2NO2
  • Average mass226.100 Da
  • Monoisotopic mass225.032333 Da
  • ChemSpider ID22369144

More details:






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

4,4-Bis(2-chlorethoxy)butannitril [German] [ACD/IUPAC Name]
4,4-Bis(2-chloroethoxy)butanenitrile [ACD/IUPAC Name]
4,4-Bis(2-chloroéthoxy)butanenitrile [French] [ACD/IUPAC Name]
Butanenitrile, 4,4-bis(2-chloroethoxy)- [ACD/Index Name]
MFCD10569941

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

Density: 1.2±0.1 g/cm3
Boiling Point: 349.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 165.1±27.9 °C
Index of Refraction: 1.462
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.60
ACD/KOC (pH 5.5): 148.63
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.60
ACD/KOC (pH 7.4): 148.63
Polar Surface Area: 42 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 189.8±3.0 cm3

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