ChemSpider 2D Image | 3,4,5-Tris{[(3R)-3,7-dimethyl-6-octen-1-yl]oxy}benzoic acid | C37H60O5

3,4,5-Tris{[(3R)-3,7-dimethyl-6-octen-1-yl]oxy}benzoic acid

  • Molecular FormulaC37H60O5
  • Average mass584.869 Da
  • Monoisotopic mass584.444092 Da
  • ChemSpider ID8944945

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3,4,5-Tris{[(3R)-3,7-dimethyl-6-octen-1-yl]oxy}benzoesäure [German] [ACD/IUPAC Name]
3,4,5-Tris{[(3R)-3,7-dimethyl-6-octen-1-yl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 3,4,5-tris{[(3R)-3,7-diméthyl-6-octén-1-yl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-tris[[(3R)-3,7-dimethyl-6-octen-1-yl]oxy]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 673.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 195.4±25.0 °C
Index of Refraction: 1.504
Molar Refractivity: 177.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 14.21
ACD/LogD (pH 5.5): 11.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7833489.00
ACD/LogD (pH 7.4): 9.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 223026.88
Polar Surface Area: 65 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 601.0±3.0 cm3

Click to predict properties on the Chemicalize site


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