ChemSpider 2D Image | Octadecyl 3,4,5-trimethoxybenzoate | C28H48O5

Octadecyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC28H48O5
  • Average mass464.678 Da
  • Monoisotopic mass464.350189 Da
  • ChemSpider ID14531885

More details:

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

3,4,5-Trihydroxybenzoic acid stearyl ester (THS)
3,4,5-Triméthoxybenzoate d'octadécyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, octadecyl ester [ACD/Index Name]
Octadecyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
Octadecyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
10361-12-3 [RN]
MFCD00016429 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 519.6±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 215.2±21.0 °C
Index of Refraction: 1.482
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 10.77
ACD/LogD (pH 5.5): 9.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6490216.50
ACD/LogD (pH 7.4): 9.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6490216.50
Polar Surface Area: 54 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 479.9±3.0 cm3

Click to predict properties on the Chemicalize site


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