ChemSpider 2D Image | CETYL BEHENATE | C38H76O2

CETYL BEHENATE

  • Molecular FormulaC38H76O2
  • Average mass565.009 Da
  • Monoisotopic mass564.584534 Da
  • ChemSpider ID142681

More details:

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

255-727-8 [EINECS]
42233-11-4 [RN]
CETYL BEHENATE
Docosanoate d'hexadécyle [French] [ACD/IUPAC Name]
Docosanoic acid, hexadecyl ester [ACD/Index Name]
Hexadecyl docosanoate [ACD/IUPAC Name]
Hexadecyl-docosanoat [German] [ACD/IUPAC Name]
24271-12-3 [RN]
5415-78-1 [RN]
677033-14-6 [RN]
More...

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

WFM51TRO3E [DBID]
B7884_SIGMA [DBID]
UNII:WFM51TRO3E [DBID]
UNII-WFM51TRO3E [DBID]
  • Gas Chromatography

    • Retention Index (Normal Alkane):

      3946.89 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.252 mm; Column length: 30 m; Column type: Capillary; Heat rate: 1 K/min; Start T: 240 C; End T: 340 C; CAS no: 42233114; Active phase: DB-1MS; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Stransky, K.; Zarevucka, M.; Valterova, I.; Wimmer, Z., Gas chromatographic retention data of wax esters, J. Chromatogr. A, 1128, 2006, 208-219.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 569.4±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 310.1±11.1 °C
Index of Refraction: 1.458
Molar Refractivity: 179.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 18.77
ACD/LogD (pH 5.5): 17.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 659.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement