ChemSpider 2D Image | 6-Chloro-3-methyl-2-(2-methyl-2-propanyl)-2,3-dihydro-4(1H)-isoquinolinone | C14H18ClNO

6-Chloro-3-methyl-2-(2-methyl-2-propanyl)-2,3-dihydro-4(1H)-isoquinolinone

  • Molecular FormulaC14H18ClNO
  • Average mass251.752 Da
  • Monoisotopic mass251.107697 Da
  • ChemSpider ID24632683

More details:

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

4(1H)-Isoquinolinone, 6-chloro-2-(1,1-dimethylethyl)-2,3-dihydro-3-methyl- [ACD/Index Name]
6-Chlor-3-methyl-2-(2-methyl-2-propanyl)-2,3-dihydro-4(1H)-isochinolinon [German] [ACD/IUPAC Name]
6-Chloro-3-méthyl-2-(2-méthyl-2-propanyl)-2,3-dihydro-4(1H)-isoquinoléinone [French] [ACD/IUPAC Name]
6-Chloro-3-methyl-2-(2-methyl-2-propanyl)-2,3-dihydro-4(1H)-isoquinolinone [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 335.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 156.5±27.9 °C
Index of Refraction: 1.542
Molar Refractivity: 69.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 98.24
ACD/KOC (pH 5.5): 647.37
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.31
ACD/KOC (pH 7.4): 2229.34
Polar Surface Area: 20 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


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