ChemSpider 2D Image | 5-[(4-Carboxyphenyl)ethynyl]isophthalic acid | C17H10O6

5-[(4-Carboxyphenyl)ethynyl]isophthalic acid

  • Molecular FormulaC17H10O6
  • Average mass310.258 Da
  • Monoisotopic mass310.047729 Da
  • ChemSpider ID26666844

More details:

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

1,3-Benzenedicarboxylic acid, 5-[2-(4-carboxyphenyl)ethynyl]- [ACD/Index Name]
5-[(4-Carboxyphenyl)ethinyl]isophthalsäure [German] [ACD/IUPAC Name]
5-[(4-Carboxyphenyl)ethynyl]isophthalic acid [ACD/IUPAC Name]
Acide 5-[(4-carboxyphényl)éthynyl]isophtalique [French] [ACD/IUPAC Name]
5-(4-carboxyphenylethynyl)isophthalic 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: 647.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 359.1±28.0 °C
Index of Refraction: 1.715
Molar Refractivity: 77.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 95.0±5.0 dyne/cm
Molar Volume: 197.4±5.0 cm3

Click to predict properties on the Chemicalize site


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