ChemSpider 2D Image | PROPYLENE GLYCOL 2-BEHENATE | C25H50O3

PROPYLENE GLYCOL 2-BEHENATE

  • Molecular FormulaC25H50O3
  • Average mass398.663 Da
  • Monoisotopic mass398.376007 Da
  • ChemSpider ID32700226

More details:

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

1-Hydroxy-2-propanyl docosanoate [ACD/IUPAC Name]
1-Hydroxy-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 1-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-hydroxy-1-methylethyl ester [ACD/Index Name]
PROPYLENE GLYCOL 2-BEHENATE

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

1L33JV6CWK [DBID]
UNII:1L33JV6CWK [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: 499.2±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 182.1±14.0 °C
Index of Refraction: 1.460
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 10.32
ACD/LogD (pH 5.5): 9.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4260900.00
ACD/LogD (pH 7.4): 9.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4260900.00
Polar Surface Area: 47 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 442.6±3.0 cm3

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