ChemSpider 2D Image | Isopropyl [(4-butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]acetate | C18H21ClO5

Isopropyl [(4-butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]acetate

  • Molecular FormulaC18H21ClO5
  • Average mass352.809 Da
  • Monoisotopic mass352.107758 Da
  • ChemSpider ID21667787

More details:

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

[(4-Butyl-6-chloro-2-oxo-2H-chromén-7-yl)oxy]acétate d'isopropyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl [(4-butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]acetate [ACD/IUPAC Name]
Isopropyl-[(4-butyl-6-chlor-2-oxo-2H-chromen-7-yl)oxy]acetat [German] [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: 480.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 176.6±27.7 °C
Index of Refraction: 1.531
Molar Refractivity: 90.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1589.44
ACD/KOC (pH 5.5): 6808.44
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1589.44
ACD/KOC (pH 7.4): 6808.44
Polar Surface Area: 62 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 291.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement