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Search term: InChIKey=QIZZORAOGOPHQF-SEYXRHQNSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | METHYL CETOLEATE | C23H44O2

METHYL CETOLEATE

  • Molecular FormulaC23H44O2
  • Average mass352.594 Da
  • Monoisotopic mass352.334137 Da
  • ChemSpider ID29739805
  • Double-bond stereo - Double-bond stereo


More details:






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

(11Z)-11-Docosénoate de méthyle [French] [ACD/IUPAC Name]
11-Docosenoic acid, methyl ester, (11Z)- [ACD/Index Name]
1937-66-2 [RN]
Methyl (11Z)-11-docosenoate [ACD/IUPAC Name]
METHYL CETOLEATE
Methyl-(11Z)-11-docosenoat [German] [ACD/IUPAC Name]
Methyl 11-docosenoate

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

3U477JCX4B [DBID]
UNII:3U477JCX4B [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 422.9±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 84.6±18.5 °C
Index of Refraction: 1.457
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 10.29
ACD/LogD (pH 5.5): 9.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3487914.50
ACD/LogD (pH 7.4): 9.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3487914.50
Polar Surface Area: 26 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 405.3±3.0 cm3

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