ChemSpider 2D Image | ISOSTEARYL BEHENATE | C40H80O2

ISOSTEARYL BEHENATE

  • Molecular FormulaC40H80O2
  • Average mass593.062 Da
  • Monoisotopic mass592.615845 Da
  • ChemSpider ID10709918

More details:

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

125804-16-2 [RN]
16-Methylheptadecyl docosanoate [ACD/IUPAC Name]
16-Methylheptadecyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 16-méthylheptadécyle [French] [ACD/IUPAC Name]
Docosanoic acid, 16-methylheptadecyl ester [ACD/Index Name]
ISOSTEARYL BEHENATE
Docosanoicacid, isooctadecyl ester (9CI)

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

NA95U012OW [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: 583.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 314.2±11.0 °C
Index of Refraction: 1.458
Molar Refractivity: 189.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 19.65
ACD/LogD (pH 5.5): 17.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 692.7±3.0 cm3

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