ChemSpider 2D Image | Phthalein purple | C34H36N2O12

Phthalein purple

  • Molecular FormulaC34H36N2O12
  • Average mass664.656 Da
  • Monoisotopic mass664.226807 Da
  • ChemSpider ID3534600

More details:

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

2,2',2'',2'''-{(3-Oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[(6-hydroxy-2,5-dimethyl-3,1-phenylen)methylennitrilo]}tetraessigsäure [German] [ACD/IUPAC Name]
2,2',2'',2'''-{(3-Oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[(6-hydroxy-2,5-dimethyl-3,1-phenylene)methylenenitrilo]}tetraacetic acid [ACD/IUPAC Name]
Acide 2,2',2'',2'''-{(3-oxo-1,3-dihydro-2-benzofurane-1,1-diyl)bis[(6-hydroxy-2,5-diméthyl-3,1-phénylène)méthylènenitrilo]}tetraacétique [French] [ACD/IUPAC Name]
o-Cresolphthalein-3′,3′′-bis-methyleneiminodiacetic acid
o-Cresolphthalexon
Phthalein purple
Xylenylphthalein-bisiminodiacetic acid

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

64000_FLUKA [DBID]
P5631_SIAL [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 899.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 497.5±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 168.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.05
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 452.5±3.0 cm3

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