ChemSpider 2D Image | 2-(4-Hydroxyphenyl)ethyl 4-hydroxy-3-methoxybenzoate | C16H16O5

2-(4-Hydroxyphenyl)ethyl 4-hydroxy-3-methoxybenzoate

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID34520667

More details:






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

2-(4-Hydroxyphenyl)ethyl 4-hydroxy-3-methoxybenzoate [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)ethyl-4-hydroxy-3-methoxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxy-3-méthoxybenzoate de 2-(4-hydroxyphényl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-3-methoxy-, 2-(4-hydroxyphenyl)ethyl ester [ACD/Index Name]
1539303-03-1 [RN]
4'-hydroxyphenyl ethyl vanillate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 501.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 187.3±22.2 °C
Index of Refraction: 1.605
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 125.21
ACD/KOC (pH 5.5): 1103.72
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 109.11
ACD/KOC (pH 7.4): 961.78
Polar Surface Area: 76 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 225.4±3.0 cm3

Click to predict properties on the Chemicalize site






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