ChemSpider 2D Image | 2-Hydroxypropyl 3,4,5-trihydroxybenzoate | C10H12O6

2-Hydroxypropyl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC10H12O6
  • Average mass228.199 Da
  • Monoisotopic mass228.063385 Da
  • ChemSpider ID35764358

More details:

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

2-Hydroxypropyl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
2-Hydroxypropyl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de 2-hydroxypropyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 2-hydroxypropyl ester [ACD/Index Name]
26818-28-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 515.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 207.7±23.6 °C
Index of Refraction: 1.627
Molar Refractivity: 54.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 74.34
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.08
ACD/KOC (pH 7.4): 53.55
Polar Surface Area: 107 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 74.4±3.0 dyne/cm
Molar Volume: 153.5±3.0 cm3

Click to predict properties on the Chemicalize site


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