ChemSpider 2D Image | 6-Acetyl-7-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-propyl-2-chromanecarboxylic acid | C31H40O8

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

  • Molecular FormulaC31H40O8
  • Average mass540.644 Da
  • Monoisotopic mass540.272339 Da
  • ChemSpider ID23147895

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-propyl- [ACD/Index Name]
6-Acetyl-7-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-propyl-2-chromancarbonsäure [German] [ACD/IUPAC Name]
6-Acetyl-7-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-propyl-2-chromanecarboxylic acid [ACD/IUPAC Name]
Acide 6-acétyl-7-{[5-(4-acétyl-3-hydroxy-2-propylphénoxy)pentyl]oxy}-2-propyl-2-chromanecarboxylique [French] [ACD/IUPAC Name]
6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-pentyloxy]-2-propyl-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: 740.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 236.8±26.4 °C
Index of Refraction: 1.553
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 308.26
ACD/KOC (pH 5.5): 407.38
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 21.35
ACD/KOC (pH 7.4): 28.22
Polar Surface Area: 119 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 461.3±3.0 cm3

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