ChemSpider 2D Image | Mono(3-carboxypropyl) phthalate | C12H12O6

Mono(3-carboxypropyl) phthalate

  • Molecular FormulaC12H12O6
  • Average mass252.220 Da
  • Monoisotopic mass252.063385 Da
  • ChemSpider ID29787543

More details:

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

1,2-Benzenedicarboxylic acid, mono(3-carboxypropyl) ester [ACD/Index Name]
2-[(3-Carboxypropoxy)carbonyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(3-Carboxypropoxy)carbonyl]benzoic acid [ACD/IUPAC Name]
66851-46-5 [RN]
Acide 2-[(3-carboxypropoxy)carbonyl]benzoïque [French] [ACD/IUPAC Name]
Mono(3-carboxypropyl) phthalate
1,2-Benzenedicarboxylic acid mono(3-carboxypropyl) ester
1346600-69-8 [RN]
2-(3-carboxypropoxycarbonyl)benzoic acid
58822-35-8 [RN]
More...

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 198.8±19.4 °C
Index of Refraction: 1.571
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 184.0±3.0 cm3

Click to predict properties on the Chemicalize site


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