ChemSpider 2D Image | 3,4,5-Tris{[(3S)-3,7-dimethyloctyl]oxy}benzoic acid | C37H66O5

3,4,5-Tris{[(3S)-3,7-dimethyloctyl]oxy}benzoic acid

  • Molecular FormulaC37H66O5
  • Average mass590.917 Da
  • Monoisotopic mass590.491028 Da
  • ChemSpider ID57569791

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3,4,5-Tris{[(3S)-3,7-dimethyloctyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
3,4,5-Tris{[(3S)-3,7-dimethyloctyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 3,4,5-tris{[(3S)-3,7-diméthyloctyl]oxy}benzoïque [French] [ACD/IUPAC Name]
BENZOIC ACID, 3,4,5-TRIS[[(3S)-3,7-DIMETHYLOCTYL]OXY]- [ACD/Index Name]
798567-90-5 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 636.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 179.5±23.6 °C
Index of Refraction: 1.484
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 15.15
ACD/LogD (pH 5.5): 11.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 453087.72
Polar Surface Area: 65 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 621.9±3.0 cm3

Click to predict properties on the Chemicalize site


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