ChemSpider 2D Image | 1-{7-Chloro-3-[(4-methylphenyl)ethynyl]-3-hepten-1-yn-1-yl}-4-methylbenzene | C23H21Cl

1-{7-Chloro-3-[(4-methylphenyl)ethynyl]-3-hepten-1-yn-1-yl}-4-methylbenzene

  • Molecular FormulaC23H21Cl
  • Average mass332.866 Da
  • Monoisotopic mass332.133179 Da
  • ChemSpider ID74126065

More details:

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

1-{7-Chlor-3-[(4-methylphenyl)ethinyl]-3-hepten-1-in-1-yl}-4-methylbenzol [German] [ACD/IUPAC Name]
1-{7-Chloro-3-[(4-methylphenyl)ethynyl]-3-hepten-1-yn-1-yl}-4-methylbenzene [ACD/IUPAC Name]
1-{7-Chloro-3-[(4-méthylphényl)éthynyl]-3-heptén-1-yn-1-yl}-4-méthylbenzène [French] [ACD/IUPAC Name]
Benzene, 1,1'-[3-(4-chlorobutylidene)-1,4-pentadiyne-1,5-diyl]bis[4-methyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 475.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 235.6±24.1 °C
Index of Refraction: 1.602
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 7.35
ACD/BCF (pH 5.5): 226590.05
ACD/KOC (pH 5.5): 237059.02
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 226590.05
ACD/KOC (pH 7.4): 237059.02
Polar Surface Area: 0 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 300.1±5.0 cm3

Click to predict properties on the Chemicalize site


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