ChemSpider 2D Image | CSID:32815286 | C82H14O2

  • Molecular FormulaC82H14O2
  • Average mass1030.987 Da
  • Monoisotopic mass1030.099365 Da
  • ChemSpider ID32815286

More details:

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

[6,6]-Phenyl C71 butyric acid methyl ester
609771-63-3 [RN]

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

Density: 2.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 3.489
Molar Refractivity: 302.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 12.28
ACD/LogD (pH 5.5): 12.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 119.9±0.5 10-24cm3
Surface Tension: 285.1±5.0 dyne/cm
Molar Volume: 383.7±5.0 cm3

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