ChemSpider 2D Image | 1,8-Dichloro-5-(1-propyn-1-yl)isoquinoline | C12H7Cl2N

1,8-Dichloro-5-(1-propyn-1-yl)isoquinoline

  • Molecular FormulaC12H7Cl2N
  • Average mass236.097 Da
  • Monoisotopic mass234.995560 Da
  • ChemSpider ID83696061

More details:






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

1,8-Dichlor-5-(1-propin-1-yl)isochinolin [German] [ACD/IUPAC Name]
1,8-Dichloro-5-(1-propyn-1-yl)isoquinoléine [French] [ACD/IUPAC Name]
1,8-Dichloro-5-(1-propyn-1-yl)isoquinoline [ACD/IUPAC Name]
Isoquinoline, 1,8-dichloro-5-(1-propyn-1-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 387.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 219.9±13.5 °C
Index of Refraction: 1.663
Molar Refractivity: 63.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 785.99
ACD/KOC (pH 5.5): 4112.79
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 786.00
ACD/KOC (pH 7.4): 4112.87
Polar Surface Area: 13 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 171.7±5.0 cm3

Click to predict properties on the Chemicalize site






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