Found 17 results

Search term: MF = 'C_{48}H_{42}'
ChemSpider 2D Image | 1,1'-[1,4-Phenylenebis(4,4-dimethyl-1-pentyne-3,1-diyl)]bis[2-(phenylethynyl)benzene] | C48H42

1,1'-[1,4-Phenylenebis(4,4-dimethyl-1-pentyne-3,1-diyl)]bis[2-(phenylethynyl)benzene]

  • Molecular FormulaC48H42
  • Average mass618.847 Da
  • Monoisotopic mass618.328674 Da
  • ChemSpider ID9051126

More details:

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

1,1'-[1,4-Phenylenbis(4,4-dimethyl-1-pentin-3,1-diyl)]bis[2-(phenylethinyl)benzol] [German] [ACD/IUPAC Name]
1,1'-[1,4-Phenylenebis(4,4-dimethyl-1-pentyne-3,1-diyl)]bis[2-(phenylethynyl)benzene] [ACD/IUPAC Name]
1,1'-[1,4-Phénylènebis(4,4-diméthyl-1-pentyne-3,1-diyl)]bis[2-(phényléthynyl)benzène] [French] [ACD/IUPAC Name]
Benzene, 1,4-bis[1-(1,1-dimethylethyl)-3-[2-(2-phenylethynyl)phenyl]-2-propyn-1-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 759.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±0.8 kJ/mol
Flash Point: 423.3±27.0 °C
Index of Refraction: 1.649
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 15.85
ACD/LogD (pH 5.5): 13.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 551.6±5.0 cm3

Click to predict properties on the Chemicalize site


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