ChemSpider 2D Image | 4-Hydroxy-2-butanyl stearate | C22H44O3

4-Hydroxy-2-butanyl stearate

  • Molecular FormulaC22H44O3
  • Average mass356.583 Da
  • Monoisotopic mass356.329041 Da
  • ChemSpider ID28701425

More details:

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

1,3-BUTYLENE GLYCOL 3-STEARATE
4-Hydroxy-2-butanyl stearate [ACD/IUPAC Name]
4-Hydroxy-2-butanylstearat [German] [ACD/IUPAC Name]
89457-57-8 [RN]
Octadecanoic acid, 3-hydroxy-1-methylpropyl ester [ACD/Index Name]
Stéarate de 4-hydroxy-2-butanyle [French] [ACD/IUPAC Name]
4-HYDROXYBUTAN-2-YL OCTADECANOATE

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

4OHV550ZJW [DBID]
UNII:4OHV550ZJW [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 426.6±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 153.4±14.0 °C
Index of Refraction: 1.458
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 8.18
ACD/BCF (pH 5.5): 969084.19
ACD/KOC (pH 5.5): 670820.44
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 969084.19
ACD/KOC (pH 7.4): 670820.44
Polar Surface Area: 47 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 393.0±3.0 cm3

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