ChemSpider 2D Image | Ethyl 2,4,6-trihydroxybenzoate | C9H10O5

Ethyl 2,4,6-trihydroxybenzoate

  • Molecular FormulaC9H10O5
  • Average mass198.173 Da
  • Monoisotopic mass198.052826 Da
  • ChemSpider ID26282429

More details:






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

2,4,6-Trihydroxybenzoate d'éthyle [French] [ACD/IUPAC Name]
90536-74-6 [RN]
Benzoic acid, 2,4,6-trihydroxy-, ethyl ester [ACD/Index Name]
Ethyl 2,4,6-trihydroxybenzoate [ACD/IUPAC Name]
Ethyl-2,4,6-trihydroxybenzoat [German] [ACD/IUPAC Name]
[90536-74-6]
2,4,6-trihydroxy-benzoic acid ethyl ester
2,4,6-Trihydroxybenzoic Acid Ethyl Ester
MFCD06204294

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

Density: 1.4±0.1 g/cm3
Boiling Point: 366.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 149.0±15.8 °C
Index of Refraction: 1.611
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.10
ACD/KOC (pH 5.5): 397.68
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 23.27
ACD/KOC (pH 7.4): 307.44
Polar Surface Area: 87 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 139.1±3.0 cm3

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