ChemSpider 2D Image | 3-Chloro-2-(cyclopropylmethoxy)-5-methylbenzonitrile | C12H12ClNO

3-Chloro-2-(cyclopropylmethoxy)-5-methylbenzonitrile

  • Molecular FormulaC12H12ClNO
  • Average mass221.683 Da
  • Monoisotopic mass221.060745 Da
  • ChemSpider ID76350196

More details:

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

3-Chlor-2-(cyclopropylmethoxy)-5-methylbenzonitril [German] [ACD/IUPAC Name]
3-Chloro-2-(cyclopropylmethoxy)-5-methylbenzonitrile [ACD/IUPAC Name]
3-Chloro-2-(cyclopropylméthoxy)-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-chloro-2-(cyclopropylmethoxy)-5-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 354.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 168.0±26.5 °C
Index of Refraction: 1.566
Molar Refractivity: 59.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.57
ACD/KOC (pH 5.5): 2042.22
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.57
ACD/KOC (pH 7.4): 2042.22
Polar Surface Area: 33 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 180.8±5.0 cm3

Click to predict properties on the Chemicalize site


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