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Search term: LLDAETXQZMTBBB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 6-Chloro-1,3-hexadiyne | C6H5Cl

6-Chloro-1,3-hexadiyne

  • Molecular FormulaC6H5Cl
  • Average mass112.557 Da
  • Monoisotopic mass112.007980 Da
  • ChemSpider ID67152661

More details:






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

1,3-Hexadiyne, 6-chloro- [ACD/Index Name]
6-Chlor-1,3-hexadiin [German] [ACD/IUPAC Name]
6-Chloro-1,3-hexadiyne [ACD/IUPAC Name]
6-Chloro-1,3-hexadiyne [French] [ACD/IUPAC Name]
??-chlorohexadiyne

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

Density: 1.1±0.1 g/cm3
Boiling Point: 153.6±23.0 °C at 760 mmHg
Vapour Pressure: 4.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.4±3.0 kJ/mol
Flash Point: 42.4±18.0 °C
Index of Refraction: 1.488
Molar Refractivity: 30.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.22
ACD/KOC (pH 5.5): 463.45
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.22
ACD/KOC (pH 7.4): 463.45
Polar Surface Area: 0 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 106.0±3.0 cm3

Click to predict properties on the Chemicalize site






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