Found 7 results

Search term: MF = 'C_{36}H_{67}NO_{3}'
ChemSpider 2D Image | 3,4,5-Tris{[(3S)-3,7-dimethyloctyl]oxy}aniline | C36H67NO3

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

  • Molecular FormulaC36H67NO3
  • Average mass561.922 Da
  • Monoisotopic mass561.512085 Da
  • ChemSpider ID9493958

  • 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}anilin [German] [ACD/IUPAC Name]
3,4,5-Tris{[(3S)-3,7-dimethyloctyl]oxy}aniline [ACD/IUPAC Name]
3,4,5-Tris{[(3S)-3,7-diméthyloctyl]oxy}aniline [French] [ACD/IUPAC Name]
Benzenamine, 3,4,5-tris[[(3S)-3,7-dimethyloctyl]oxy]- [ACD/Index Name]
480445-08-7 [RN]
CTK1C7017

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

Density: 0.9±0.1 g/cm3
Boiling Point: 619.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 303.8±23.8 °C
Index of Refraction: 1.485
Molar Refractivity: 175.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 13.48
ACD/LogD (pH 5.5): 11.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 54 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 611.7±3.0 cm3

Click to predict properties on the Chemicalize site


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