ChemSpider 2D Image | 6-Chloro-2-hexynenitrile | C6H6ClN

6-Chloro-2-hexynenitrile

  • Molecular FormulaC6H6ClN
  • Average mass127.572 Da
  • Monoisotopic mass127.018875 Da
  • ChemSpider ID32991884

More details:

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

2-Hexynenitrile, 6-chloro- [ACD/Index Name]
6-Chlor-2-hexinnitril [German] [ACD/IUPAC Name]
6-Chloro-2-hexynenitrile [ACD/IUPAC Name]
6-Chloro-2-hexynenitrile [French] [ACD/IUPAC Name]
152329-43-6 [RN]
MFCD19233108

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

Density: 1.1±0.1 g/cm3
Boiling Point: 195.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 71.8±22.1 °C
Index of Refraction: 1.476
Molar Refractivity: 32.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.00
ACD/KOC (pH 5.5): 297.09
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.00
ACD/KOC (pH 7.4): 297.09
Polar Surface Area: 24 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 115.6±3.0 cm3

Click to predict properties on the Chemicalize site


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