ChemSpider 2D Image | 3,6-Bis(pentyloxy)-4,5-bis(phenylsulfanyl)phthalonitrile | C30H32N2O2S2

3,6-Bis(pentyloxy)-4,5-bis(phenylsulfanyl)phthalonitrile

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID8250795

More details:

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

1,2-Benzenedicarbonitrile, 3,6-bis(pentyloxy)-4,5-bis(phenylthio)- [ACD/Index Name]
3,6-Bis(pentyloxy)-4,5-bis(phénylsulfanyl)phtalonitrile [French] [ACD/IUPAC Name]
3,6-Bis(pentyloxy)-4,5-bis(phenylsulfanyl)phthalonitril [German] [ACD/IUPAC Name]
3,6-Bis(pentyloxy)-4,5-bis(phenylsulfanyl)phthalonitrile [ACD/IUPAC 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: 660.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.2±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 151.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 10.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9642211.00
ACD/LogD (pH 7.4): 10.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9642211.00
Polar Surface Area: 117 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 429.1±5.0 cm3

Click to predict properties on the Chemicalize site


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