ChemSpider 2D Image | 5-(3,4-Dihydroxyphenyl)pentanoic acid | C11H14O4

5-(3,4-Dihydroxyphenyl)pentanoic acid

  • Molecular FormulaC11H14O4
  • Average mass210.227 Da
  • Monoisotopic mass210.089203 Da
  • ChemSpider ID30776738

More details:






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

5-(3,4-Dihydroxyphenyl)pentanoic acid [ACD/IUPAC Name]
5-(3,4-Dihydroxyphenyl)pentansäure [German] [ACD/IUPAC Name]
Acide 5-(3,4-dihydroxyphényl)pentanoïque [French] [ACD/IUPAC Name]
Benzenepentanoic acid, 3,4-dihydroxy- [ACD/Index Name]
3,4-Dihydroxyphenylvaleric acid
31129-94-9 [RN]
5-(3',4'-Dihydroxyphenyl)-valeric acid
MFCD22421823

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

  • Miscellaneous

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 245.3±22.4 °C
Index of Refraction: 1.589
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 23.90
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 163.3±3.0 cm3

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