ChemSpider 2D Image | Hexadecyl [3-(4-oxo-4H-chromen-2-yl)phenyl]acetate | C33H44O4

Hexadecyl [3-(4-oxo-4H-chromen-2-yl)phenyl]acetate

  • Molecular FormulaC33H44O4
  • Average mass504.700 Da
  • Monoisotopic mass504.323975 Da
  • ChemSpider ID8521490

More details:

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

[3-(4-Oxo-4H-chromén-2-yl)phényl]acétate d'hexadécyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-(4-oxo-4H-1-benzopyran-2-yl)-, hexadecyl ester [ACD/Index Name]
Hexadecyl [3-(4-oxo-4H-chromen-2-yl)phenyl]acetate [ACD/IUPAC Name]
Hexadecyl-[3-(4-oxo-4H-chromen-2-yl)phenyl]acetat [German] [ACD/IUPAC 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: 609.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 253.1±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 149.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 11.27
ACD/LogD (pH 5.5): 10.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 479.7±3.0 cm3

Click to predict properties on the Chemicalize site


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