ChemSpider 2D Image | (3E,5E)-7-Chloro-3,5-heptadien-1-yne | C7H7Cl

(3E,5E)-7-Chloro-3,5-heptadien-1-yne

  • Molecular FormulaC7H7Cl
  • Average mass126.584 Da
  • Monoisotopic mass126.023628 Da
  • ChemSpider ID32995009
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E,5E)-7-Chlor-3,5-heptadien-1-in [German] [ACD/IUPAC Name]
(3E,5E)-7-Chloro-3,5-heptadien-1-yne [ACD/IUPAC Name]
(3E,5E)-7-Chloro-3,5-heptadién-1-yne [French] [ACD/IUPAC Name]
3,5-Heptadien-1-yne, 7-chloro-, (3E,5E)- [ACD/Index Name]
39158-86-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 182.2±23.0 °C at 760 mmHg
Vapour Pressure: 1.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.1±3.0 kJ/mol
Flash Point: 59.6±18.0 °C
Index of Refraction: 1.501
Molar Refractivity: 37.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.65
ACD/KOC (pH 5.5): 951.29
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.65
ACD/KOC (pH 7.4): 951.29
Polar Surface Area: 0 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 126.5±3.0 cm3

Click to predict properties on the Chemicalize site






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