ChemSpider 2D Image | mono(6-carboxy-2-methylheptyl) phthalate | C17H22O6

mono(6-carboxy-2-methylheptyl) phthalate

  • Molecular FormulaC17H22O6
  • Average mass322.353 Da
  • Monoisotopic mass322.141632 Da
  • ChemSpider ID58170311

More details:

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

1,2-Benzenedicarboxylic acid, mono(6-carboxy-2-methylheptyl) ester [ACD/Index Name]
2-{[(6-Carboxy-2-methylheptyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(6-Carboxy-2-methylheptyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(6-carboxy-2-méthylheptyl)oxy]carbonyl}benzoïque [French] [ACD/IUPAC Name]
mono(6-carboxy-2-methylheptyl) phthalate
1923895-92-4 [RN]
mono(6-COOH-2-methylheptyl) 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: 518.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 185.9±19.4 °C
Index of Refraction: 1.537
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 267.3±3.0 cm3

Click to predict properties on the Chemicalize site


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