ChemSpider 2D Image | 5,5'-(1,4-Naphthalenediyldi-2,1-ethynediyl)diisophthalic acid | C30H16O8

5,5'-(1,4-Naphthalenediyldi-2,1-ethynediyl)diisophthalic acid

  • Molecular FormulaC30H16O8
  • Average mass504.443 Da
  • Monoisotopic mass504.084503 Da
  • ChemSpider ID29368922

More details:

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

1,3-Benzenedicarboxylic acid, 5,5'-(1,4-naphthalenediyldi-2,1-ethynediyl)bis- [ACD/Index Name]
5,5'-(1,4-Naphthalenediyldi-2,1-ethynediyl)diisophthalic acid [ACD/IUPAC Name]
5,5'-(1,4-Naphthalindiyldi-2,1-ethindiyl)diisophthalsäure [German] [ACD/IUPAC Name]
Acide 5,5'-(1,4-naphtalènediyldi-2,1-éthynediyl)diisophtalique [French] [ACD/IUPAC Name]
5,5′-(Naphthalene-1,4-diylbis(ethyne-2,1-diyl))diisophthalic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 900.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.1±3.0 kJ/mol
Flash Point: 512.2±30.8 °C
Index of Refraction: 1.794
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 108.0±5.0 dyne/cm
Molar Volume: 313.7±5.0 cm3

Click to predict properties on the Chemicalize site


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