ChemSpider 2D Image | CETYLARACHIDOL | C36H74O

CETYLARACHIDOL

  • Molecular FormulaC36H74O
  • Average mass522.972 Da
  • Monoisotopic mass522.573975 Da
  • ChemSpider ID78109

More details:

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

17658-63-8 [RN]
1-Eicosanol, 2-hexadecyl- [ACD/Index Name]
241-637-6 [EINECS]
2-hexadecyl-1-eicosanol
2-Hexadecyl-1-icosanol [ACD/IUPAC Name]
2-Hexadecyl-1-icosanol [German] [ACD/IUPAC Name]
2-Hexadécyl-1-icosanol [French] [ACD/IUPAC Name]
2-Hexadecylicosan-1-ol
CETYLARACHIDOL
Pentatriacontane, 17-(hydroxymethyl)-
More...

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

PNI7414YT1 [DBID]
UNII:PNI7414YT1 [DBID]
  • Gas Chromatography

    • Retention Index (Kovats):

      3778 (estimated with error: 41) NIST Spectra mainlib_163478

    • Retention Index (Linear):

      3782 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 12.5 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 120 C; End T: 325 C; End time: 5 min; CAS no: 17658638; Active phase: Ultra-1; Carrier gas: He; Phase thickness: 0.11 um; Data type: Linear RI; Authors: Tokuda, H.; Saitoh, E.; Kimura, Y.; Takano, S., Automated analysis of various compounds with a wide range of boiling points by capillary gas chromatgraphy based on retention indices, J. Chromatogr., 454, 1988, 109-120.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 535.0±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 130.2±9.3 °C
Index of Refraction: 1.461
Molar Refractivity: 170.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 17.69
ACD/LogD (pH 5.5): 16.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 620.7±3.0 cm3

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