ChemSpider 2D Image | 6,13-Bis[(4-pentylphenyl)ethynyl]pentacene | C48H42

6,13-Bis[(4-pentylphenyl)ethynyl]pentacene

  • Molecular FormulaC48H42
  • Average mass618.847 Da
  • Monoisotopic mass618.328674 Da
  • ChemSpider ID28590041

More details:

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

6,13-Bis[(4-pentylphenyl)ethinyl]pentacen [German] [ACD/IUPAC Name]
6,13-Bis[(4-pentylphenyl)ethynyl]pentacene [ACD/IUPAC Name]
6,13-Bis[(4-pentylphényl)éthynyl]pentacène [French] [ACD/IUPAC Name]
Pentacene, 6,13-bis[2-(4-pentylphenyl)ethynyl]- [ACD/Index Name]
6,13-BIS[2-(4-PENTYLPHENYL)ETHYNYL]PENTACENE
854519-91-8 [RN]
PENTACENE, 6,13-BIS[(4-PENTYLPHENYL)ETHYNYL]-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 807.8±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 113.4±0.8 kJ/mol
Flash Point: 452.3±26.5 °C
Index of Refraction: 1.706
Molar Refractivity: 207.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 17.43
ACD/LogD (pH 5.5): 15.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 532.4±5.0 cm3

Click to predict properties on the Chemicalize site


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