ChemSpider 2D Image | 3-Mesitylpentanedioic acid | C14H18O4

3-Mesitylpentanedioic acid

  • Molecular FormulaC14H18O4
  • Average mass250.290 Da
  • Monoisotopic mass250.120514 Da
  • ChemSpider ID26666404

More details:






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

3-(2,4,6-Trimethylphenyl)pentanedioic acid
3-Mesitylpentandisäure [German] [ACD/IUPAC Name]
3-Mesitylpentanedioic acid [ACD/IUPAC Name]
Acide 3-mésitylpentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-(2,4,6-trimethylphenyl)- [ACD/Index Name]
QV1Y1VQR B1 D1 F1 [WLN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 406.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 213.9±23.8 °C
Index of Refraction: 1.552
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.55
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 210.6±3.0 cm3

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