ChemSpider 2D Image | 3-(3-Carboxypropyl)phthalic acid | C12H12O6

3-(3-Carboxypropyl)phthalic acid

  • Molecular FormulaC12H12O6
  • Average mass252.220 Da
  • Monoisotopic mass252.063385 Da
  • ChemSpider ID35035181

More details:

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

1,2-Benzenedicarboxylic acid, 3-(3-carboxypropyl)- [ACD/Index Name]
3-(3-Carboxypropyl)benzene-1,2-Dicarboxylic Acid
3-(3-Carboxypropyl)phthalic acid [ACD/IUPAC Name]
3-(3-Carboxypropyl)phthalsäure [German] [ACD/IUPAC Name]
Acide 3-(3-carboxypropyl)phtalique [French] [ACD/IUPAC Name]
3JL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 273.3±25.2 °C
Index of Refraction: 1.608
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 174.9±3.0 cm3

Click to predict properties on the Chemicalize site


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