ChemSpider 2D Image | 1-(3-Chloro-4,5-dimethoxyphenyl)-3-ethyl-1-heptanone | C17H25ClO3

1-(3-Chloro-4,5-dimethoxyphenyl)-3-ethyl-1-heptanone

  • Molecular FormulaC17H25ClO3
  • Average mass312.832 Da
  • Monoisotopic mass312.149231 Da
  • ChemSpider ID43401772

More details:

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

1-(3-Chlor-4,5-dimethoxyphenyl)-3-ethyl-1-heptanon [German] [ACD/IUPAC Name]
1-(3-Chloro-4,5-dimethoxyphenyl)-3-ethyl-1-heptanone [ACD/IUPAC Name]
1-(3-Chloro-4,5-diméthoxyphényl)-3-éthyl-1-heptanone [French] [ACD/IUPAC Name]
1-Heptanone, 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl- [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: 414.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 145.3±27.7 °C
Index of Refraction: 1.497
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9652.62
ACD/KOC (pH 5.5): 24762.75
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9652.62
ACD/KOC (pH 7.4): 24762.75
Polar Surface Area: 36 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 296.8±3.0 cm3

Click to predict properties on the Chemicalize site


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