ChemSpider 2D Image | 5,7-Dibutoxy-2-oxo-2H-chromene-3-carbonyl chloride | C18H21ClO5

5,7-Dibutoxy-2-oxo-2H-chromene-3-carbonyl chloride

  • Molecular FormulaC18H21ClO5
  • Average mass352.809 Da
  • Monoisotopic mass352.107758 Da
  • ChemSpider ID96329087

More details:

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

2H-1-Benzopyran-3-carbonyl chloride, 5,7-dibutoxy-2-oxo- [ACD/Index Name]
5,7-Dibutoxy-2-oxo-2H-chromen-3-carbonylchlorid [German] [ACD/IUPAC Name]
5,7-Dibutoxy-2-oxo-2H-chromene-3-carbonyl chloride [ACD/IUPAC Name]
Chlorure de 5,7-dibutoxy-2-oxo-2H-chromène-3-carbonyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 190.5±29.1 °C
Index of Refraction: 1.539
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2925.49
ACD/KOC (pH 5.5): 10536.58
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2925.49
ACD/KOC (pH 7.4): 10536.58
Polar Surface Area: 62 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 288.3±3.0 cm3

Click to predict properties on the Chemicalize site


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