ChemSpider 2D Image | 5-(2,3,4-Trimethoxyphenyl)pentanoic acid | C14H20O5

5-(2,3,4-Trimethoxyphenyl)pentanoic acid

  • Molecular FormulaC14H20O5
  • Average mass268.306 Da
  • Monoisotopic mass268.131073 Da
  • ChemSpider ID28554304

More details:






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

5-(2,3,4-Trimethoxyphenyl)pentanoic acid [ACD/IUPAC Name]
5-(2,3,4-Trimethoxyphenyl)pentansäure [German] [ACD/IUPAC Name]
Acide 5-(2,3,4-triméthoxyphényl)pentanoïque [French] [ACD/IUPAC Name]
Benzenepentanoic acid, 2,3,4-trimethoxy- [ACD/Index Name]
5-(2,3,4-trimethoxy-phenyl)-valeric acid
859785-14-1 [RN]
MFCD12686978

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

Density: 1.1±0.1 g/cm3
Boiling Point: 411.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 149.7±22.2 °C
Index of Refraction: 1.510
Molar Refractivity: 71.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 47.05
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 238.4±3.0 cm3

Click to predict properties on the Chemicalize site






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