ChemSpider 2D Image | MFCD00056225 | C36H72O2

MFCD00056225

  • Molecular FormulaC36H72O2
  • Average mass536.956 Da
  • Monoisotopic mass536.553223 Da
  • ChemSpider ID16748

More details:

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

220-476-5 [EINECS]
2778-96-3 [RN]
MFCD00056225
Octadecanoic acid, octadecyl ester [ACD/Index Name]
octadecyl octadecanoate
Octadecyl stearate [ACD/IUPAC Name]
Octadecylstearat [German] [ACD/IUPAC Name]
Stéarate d'octadécyle [French] [ACD/IUPAC Name]
stearic acid stearyl ester
Stearic acid, octadecyl ester
More...

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

1807499 [DBID]
5WX2EGD0DK [DBID]
388335_ALDRICH [DBID]
46408_RIEDEL [DBID]
85775_FLUKA [DBID]
BRN 1805188 [DBID]
BRN 1805197 [DBID]
C13821 [DBID]
LMFA07010001 [DBID]
NSC 57589 [DBID]
More...
  • Gas Chromatography

    • Retention Index (Kovats):

      3767 (estimated with error: 47) NIST Spectra mainlib_18285, replib_36370

    • Retention Index (Normal Alkane):

      3745.68 (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: 2778963; 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: 549.1±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 297.0±11.1 °C
Index of Refraction: 1.457
Molar Refractivity: 170.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 17.71
ACD/LogD (pH 5.5): 16.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 626.3±3.0 cm3

Click to predict properties on the Chemicalize site


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