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ChemSpider 2D Image | 4'-(Dodecyloxy)-4-biphenylyl 2-hexyl-6-chromanecarboxylate | C40H54O4

4'-(Dodecyloxy)-4-biphenylyl 2-hexyl-6-chromanecarboxylate

  • Molecular FormulaC40H54O4
  • Average mass598.854 Da
  • Monoisotopic mass598.402222 Da
  • ChemSpider ID8161593

More details:

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

2H-1-Benzopyran-6-carboxylic acid, 2-hexyl-3,4-dihydro-, 4'-(dodecyloxy)[1,1'-biphenyl]-4-yl ester [ACD/Index Name]
2-Hexyl-6-chromanecarboxylate de 4'-(dodécyloxy)-4-biphénylyle [French] [ACD/IUPAC Name]
4'-(Dodecyloxy)-4-biphenylyl 2-hexyl-6-chromanecarboxylate [ACD/IUPAC Name]
4'-(Dodecyloxy)-4-biphenylyl-2-hexyl-6-chromancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 704.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 285.5±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 181.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 15.08
ACD/LogD (pH 5.5): 14.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 45 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 585.2±3.0 cm3

Click to predict properties on the Chemicalize site


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