ChemSpider 2D Image | (17E,21Z)-22-Bromo-17,21-docosadiene-9,11,19-triynoic acid | C22H27BrO2

(17E,21Z)-22-Bromo-17,21-docosadiene-9,11,19-triynoic acid

  • Molecular FormulaC22H27BrO2
  • Average mass403.353 Da
  • Monoisotopic mass402.119446 Da
  • ChemSpider ID30770933

  • Double-bond stereo - Double-bond stereo

More details:

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

(17E,21Z)-22-Brom-17,21-docosadien-9,11,19-triinsäure [German] [ACD/IUPAC Name]
(17E,21Z)-22-Bromo-17,21-docosadiene-9,11,19-triynoic acid [ACD/IUPAC Name]
17,21-Docosadiene-9,11,19-triynoic acid, 22-bromo-, (17E,21Z)- [ACD/Index Name]
Acide (17E,21Z)-22-bromo-17,21-docosadiène-9,11,19-triynoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 10912.37
ACD/KOC (pH 5.5): 15991.14
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 174.80
ACD/KOC (pH 7.4): 256.15
Polar Surface Area: 37 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 336.6±3.0 cm3

Click to predict properties on the Chemicalize site


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