ChemSpider 2D Image | 1-Chloro-2,4-hexadiyne | C6H5Cl

1-Chloro-2,4-hexadiyne

  • Molecular FormulaC6H5Cl
  • Average mass112.557 Da
  • Monoisotopic mass112.007980 Da
  • ChemSpider ID28712105

More details:

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

1-Chlor-2,4-hexadiin [German] [ACD/IUPAC Name]
1-Chloro-2,4-hexadiyne [ACD/IUPAC Name]
1-Chloro-2,4-hexadiyne [French] [ACD/IUPAC Name]
2,4-Hexadiyne, 1-chloro- [ACD/Index Name]
1-CHLOROHEXA-2,4-DIYNE
94769-21-8 [RN]
MFCD19236595

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

Density: 1.1±0.1 g/cm3
Boiling Point: 180.1±23.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.9±3.0 kJ/mol
Flash Point: 58.3±18.0 °C
Index of Refraction: 1.493
Molar Refractivity: 30.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.61
ACD/KOC (pH 5.5): 641.40
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.61
ACD/KOC (pH 7.4): 641.40
Polar Surface Area: 0 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 105.6±3.0 cm3

Click to predict properties on the Chemicalize site


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