ChemSpider 2D Image | 6-Acetyl-7-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-methyl-2-chromanecarboxylic acid | C29H36O8

6-Acetyl-7-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-methyl-2-chromanecarboxylic acid

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID23148089

More details:

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

2H-1-Benzopyran-2-carboxylic acid, 6-acetyl-7-[[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy]-3,4-dihydro-2-methyl- [ACD/Index Name]
6-Acetyl-7-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-methyl-2-chromancarbonsäure [German] [ACD/IUPAC Name]
6-Acetyl-7-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-methyl-2-chromanecarboxylic acid [ACD/IUPAC Name]
Acide 6-acétyl-7-{[5-(4-acétyl-3-hydroxy-2-propylphénoxy)pentyl]oxy}-2-méthyl-2-chromanecarboxylique [French] [ACD/IUPAC Name]
6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-pentyloxy]-2-methyl-chroman-2-carboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 726.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 236.9±26.4 °C
Index of Refraction: 1.561
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 40.66
ACD/KOC (pH 5.5): 95.56
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 6.62
Polar Surface Area: 119 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 427.2±3.0 cm3

Click to predict properties on the Chemicalize site


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