ChemSpider 2D Image | 4-{3-[3,5-Bis(trimethylsilyl)phenyl]-3-oxo-1-propen-1-yl}benzoic acid | C22H28O3Si2

4-{3-[3,5-Bis(trimethylsilyl)phenyl]-3-oxo-1-propen-1-yl}benzoic acid

  • Molecular FormulaC22H28O3Si2
  • Average mass396.627 Da
  • Monoisotopic mass396.157684 Da
  • ChemSpider ID23349468

More details:

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

4-{3-[3,5-Bis(trimethylsilyl)phenyl]-3-oxo-1-propen-1-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{3-[3,5-Bis(trimethylsilyl)phenyl]-3-oxo-1-propen-1-yl}benzoic acid [ACD/IUPAC Name]
4-{3-[3,5-Bis(trimethylsilyl)phenyl]-3-oxoprop-1-en-1-yl}benzoic acid
Acide 4-{3-[3,5-bis(triméthylsilyl)phényl]-3-oxo-1-propén-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[3,5-bis(trimethylsilyl)phenyl]-3-oxo-1-propen-1-yl]- [ACD/Index Name]
125973-58-2 [RN]
4-(3-(3,5-bis(trimethylsilyl)phenyl)-3-oxo-1-propenyl)benzoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 474.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.8±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.50
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 20627.02
ACD/KOC (pH 5.5): 17681.69
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 590.71
ACD/KOC (pH 7.4): 506.37
Polar Surface Area: 54 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 367.6±5.0 cm3

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