Found 132 results

Search term: MF = 'C_{32}H_{39}NO_{5}'
ChemSpider 2D Image | {4-[4,9-Bis(hexyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetic acid | C32H39NO5

{4-[4,9-Bis(hexyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetic acid

  • Molecular FormulaC32H39NO5
  • Average mass517.656 Da
  • Monoisotopic mass517.282837 Da
  • ChemSpider ID8383562

More details:

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

{4-[4,9-Bis(hexyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetic acid [ACD/IUPAC Name]
{4-[4,9-Bis(hexyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}essigsäure [German] [ACD/IUPAC Name]
Acide {4-[4,9-bis(hexyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[4,9-bis(hexyloxy)-1,3-dihydro-1-oxo-2H-benz[f]isoindol-2-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 392.8±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 150.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 7.15
ACD/BCF (pH 5.5): 80708.01
ACD/KOC (pH 5.5): 50249.79
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 1361.36
ACD/KOC (pH 7.4): 847.60
Polar Surface Area: 76 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 444.9±3.0 cm3

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