ChemSpider 2D Image | 5-Chloro-5-methyl-1,3-hexadiyne | C7H7Cl

5-Chloro-5-methyl-1,3-hexadiyne

  • Molecular FormulaC7H7Cl
  • Average mass126.584 Da
  • Monoisotopic mass126.023628 Da
  • ChemSpider ID57501601

More details:






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

1,3-Hexadiyne, 5-chloro-5-methyl- [ACD/Index Name]
5-Chlor-5-methyl-1,3-hexadiin [German] [ACD/IUPAC Name]
5-Chloro-5-methyl-1,3-hexadiyne [ACD/IUPAC Name]
5-Chloro-5-méthyl-1,3-hexadiyne [French] [ACD/IUPAC Name]
1000-44-8 [RN]
5-Chloro-5-methylhexa-1,3-diyne

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

Density: 1.0±0.1 g/cm3
Boiling Point: 145.8±23.0 °C at 760 mmHg
Vapour Pressure: 6.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.7±3.0 kJ/mol
Flash Point: 37.8±18.0 °C
Index of Refraction: 1.485
Molar Refractivity: 35.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.20
ACD/KOC (pH 5.5): 948.27
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.20
ACD/KOC (pH 7.4): 948.27
Polar Surface Area: 0 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 122.6±3.0 cm3

Click to predict properties on the Chemicalize site






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