ChemSpider 2D Image | 3-(6-Octyl-1-pyrenyl)propanoic acid | C27H30O2

3-(6-Octyl-1-pyrenyl)propanoic acid

  • Molecular FormulaC27H30O2
  • Average mass386.526 Da
  • Monoisotopic mass386.224579 Da
  • ChemSpider ID28590886

More details:

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

1-Pyrenepropanoic acid, 6-octyl- [ACD/Index Name]
3-(6-Octyl-1-pyrenyl)propanoic acid [ACD/IUPAC Name]
3-(6-Octyl-1-pyrenyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(6-octyl-1-pyrényl)propanoïque [French] [ACD/IUPAC Name]
3-(6-OCTYLPYREN-1-YL)PROPANOIC ACID
523990-82-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 575.7±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 471.9±16.6 °C
Index of Refraction: 1.666
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.97
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 330929.75
ACD/KOC (pH 5.5): 166444.02
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 5200.84
ACD/KOC (pH 7.4): 2615.81
Polar Surface Area: 37 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 337.8±3.0 cm3

Click to predict properties on the Chemicalize site


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