Octadecyl stearate C36H72O2 structure – Flashcards

Flashcard maker : Lesly Ford

C36H72O2 structure
Molecular Formula C36H72O2
Average mass 536.956 Da
Density 0.9±0.1 g/cm3
Boiling Point 549.1±18.0 °C at 760 mmHg
Flash Point 297.0±11.1 °C
Molar Refractivity 170.6±0.3 cm3
Polarizability 67.6±0.5 10-24cm3
Surface Tension 32.0±3.0 dyne/cm
Molar Volume 626.3±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • 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

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

  • 1-Click Docking
  • 1-Click Scaffold Hop

Get an explanation on any task
Get unstuck with the help of our AI assistant in seconds
New