ChemSpider 2D Image | aurantoic acid | C12H13ClO2

aurantoic acid

  • Molecular FormulaC12H13ClO2
  • Average mass224.683 Da
  • Monoisotopic mass224.060410 Da
  • ChemSpider ID24665878

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E,8E,10Z)-11-Chlor-2,4,6,8,10-dodecapentaensäure [German] [ACD/IUPAC Name]
(2E,4E,6E,8E,10Z)-11-Chloro-2,4,6,8,10-dodecapentaenoic acid [ACD/IUPAC Name]
2,4,6,8,10-Dodecapentaenoic acid, 11-chloro-, (2E,4E,6E,8E,10Z)- [ACD/Index Name]
Acide (2E,4E,6E,8E,10Z)-11-chloro-2,4,6,8,10-dodécapentaénoïque [French] [ACD/IUPAC Name]
aurantoic acid
11-chloro-dodeca-2E,4E,6E,8E,10Z-pentaenoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.1±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±6.0 kJ/mol
Flash Point: 203.6±21.2 °C
Index of Refraction: 1.553
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 9.77
ACD/KOC (pH 5.5): 78.86
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 37 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 200.5±3.0 cm3

Click to predict properties on the Chemicalize site


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