ChemSpider 2D Image | 3-(4-Chlorophenyl)-2-propynal | C9H5ClO

3-(4-Chlorophenyl)-2-propynal

  • Molecular FormulaC9H5ClO
  • Average mass164.588 Da
  • Monoisotopic mass164.002899 Da
  • ChemSpider ID26583915

More details:

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

2-Propynal, 3-(4-chlorophenyl)- [ACD/Index Name]
3-(4-Chlorophenyl)-2-propynal [ACD/IUPAC Name]
3-(4-Chlorophényl)-2-propynal [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-2-propinal [German] [ACD/IUPAC Name]
3-(4-Chlorophenyl)prop-2-ynal
67228-76-6 [RN]
MFCD22023455

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

Density: 1.3±0.1 g/cm3
Boiling Point: 276.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 115.1±23.2 °C
Index of Refraction: 1.583
Molar Refractivity: 43.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.10
ACD/KOC (pH 5.5): 794.95
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.10
ACD/KOC (pH 7.4): 794.95
Polar Surface Area: 17 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 131.0±5.0 cm3

Click to predict properties on the Chemicalize site


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