ChemSpider 2D Image | Diethyl 4,4'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis(3-acetyl-2-hydroxybenzoate) | C25H28O11

Diethyl 4,4'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis(3-acetyl-2-hydroxybenzoate)

  • Molecular FormulaC25H28O11
  • Average mass504.483 Da
  • Monoisotopic mass504.163147 Da
  • ChemSpider ID2080273

More details:

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

4,4'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis(3-acétyl-2-hydroxybenzoate) de diéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,4'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[3-acetyl-2-hydroxy-, diethyl ester [ACD/Index Name]
Diethyl 4,4'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis(3-acetyl-2-hydroxybenzoate) [ACD/IUPAC Name]
Diethyl-4,4'-[(2-hydroxy-1,3-propandiyl)bis(oxy)]bis(3-acetyl-2-hydroxybenzoat) [German] [ACD/IUPAC Name]
ethyl 3-acetyl-4-{3-[2-acetyl-4-(ethoxycarbonyl)-3-hydroxyphenoxy]-2-hydroxypropoxy}-2-hydroxybenzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 226.7±25.0 °C
Index of Refraction: 1.578
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11649.44
ACD/KOC (pH 5.5): 28329.20
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11532.32
ACD/KOC (pH 7.4): 28044.39
Polar Surface Area: 166 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 381.4±3.0 cm3

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