ChemSpider 2D Image | Ethyl 3,5-bis[(4-ethoxyphenyl)ethynyl]-4-[(2-methoxyethoxy)methoxy]benzoate | C33H34O7

Ethyl 3,5-bis[(4-ethoxyphenyl)ethynyl]-4-[(2-methoxyethoxy)methoxy]benzoate

  • Molecular FormulaC33H34O7
  • Average mass542.619 Da
  • Monoisotopic mass542.230469 Da
  • ChemSpider ID8825518

More details:

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

3,5-Bis[(4-éthoxyphényl)éthynyl]-4-[(2-méthoxyéthoxy)méthoxy]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis[2-(4-ethoxyphenyl)ethynyl]-4-[(2-methoxyethoxy)methoxy]-, ethyl ester [ACD/Index Name]
Ethyl 3,5-bis[(4-ethoxyphenyl)ethynyl]-4-[(2-methoxyethoxy)methoxy]benzoate [ACD/IUPAC Name]
Ethyl-3,5-bis[(4-ethoxyphenyl)ethinyl]-4-[(2-methoxyethoxy)methoxy]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 285.6±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 96404.22
ACD/KOC (pH 5.5): 128586.46
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 96404.22
ACD/KOC (pH 7.4): 128586.46
Polar Surface Area: 72 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 450.1±5.0 cm3

Click to predict properties on the Chemicalize site


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