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ChemSpider 2D Image | 3-(4-Methylphenoxy)phthalic acid | C15H12O5

3-(4-Methylphenoxy)phthalic acid

  • Molecular FormulaC15H12O5
  • Average mass272.253 Da
  • Monoisotopic mass272.068481 Da
  • ChemSpider ID21112569

More details:

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

1,2-Benzenedicarboxylic acid, 3-(4-methylphenoxy)- [ACD/Index Name]
3(4-Methylphenoxy)-1,2-benzenedicarboxylic acid
3-(4-methylphenoxy)benzene-1,2-dicarboxylic acid
3-(4-Methylphenoxy)phthalic acid [ACD/IUPAC Name]
3-(4-Methylphenoxy)phthalsäure [German] [ACD/IUPAC Name]
Acide 3-(4-méthylphénoxy)phtalique [French] [ACD/IUPAC Name]
3-(4-Methyl-phenoxy)-phthalic acid
3-(p-Tolyloxy)phthalic acid
63181-80-6 [RN]

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-42412]
    • Safety:

      20/21/22 Novochemy [NC-42412]
      20/21/36/37/39 Novochemy [NC-42412]
      GHS07; GHS09 Novochemy [NC-42412]
      H332; H403 Novochemy [NC-42412]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-42412]
      R52/990 Novochemy [NC-42412]
      Warning Novochemy [NC-42412]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 443.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 167.2±22.2 °C
Index of Refraction: 1.627
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 201.4±3.0 cm3

Click to predict properties on the Chemicalize site