ChemSpider 2D Image | mono(7-carboxy-2-methyloctyl) phthalate | C18H24O6

mono(7-carboxy-2-methyloctyl) phthalate

  • Molecular FormulaC18H24O6
  • Average mass336.380 Da
  • Monoisotopic mass336.157288 Da
  • ChemSpider ID58170310

More details:






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

1,2-Benzenedicarboxylic acid, 1-(7-carboxy-2-methyloctyl) ester
1,2-Benzenedicarboxylic acid, mono(7-carboxy-2-methyloctyl) ester [ACD/Index Name]
1373125-93-9 [RN]
2-{[(7-Carboxy-2-methyloctyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(7-Carboxy-2-methyloctyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(7-carboxy-2-méthyloctyl)oxy]carbonyl}benzoïque [French] [ACD/IUPAC Name]
mono(7-carboxy-2-methyloctyl) phthalate
mono(7-COOH-2-methyloctyl) phthalate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 186.3±19.4 °C
Index of Refraction: 1.533
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.33
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 283.8±3.0 cm3

Click to predict properties on the Chemicalize site






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