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Search term: 113368317 (Found by CSID)
ChemSpider 2D Image | 8-[3-(1,3-Dodecadiyn-1-yl)-2-oxiranyl]octanoic acid | C22H34O3

8-[3-(1,3-Dodecadiyn-1-yl)-2-oxiranyl]octanoic acid

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID113368317

More details:

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

2-Oxiraneoctanoic acid, 3-(1,3-dodecadiyn-1-yl)- [ACD/Index Name]
8-[3-(1,3-Dodecadiin-1-yl)-2-oxiranyl]octansäure [German] [ACD/IUPAC Name]
8-[3-(1,3-Dodecadiyn-1-yl)-2-oxiranyl]octanoic acid [ACD/IUPAC Name]
Acide 8-[3-(1,3-dodécadiyn-1-yl)-2-oxiranyl]octanoïque [French] [ACD/IUPAC Name]
9,10-epoxy-11,13-docosadiynoic acid
9,10-epoxy-docosa-11,13-diynoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 512.2±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 170.7±21.7 °C
Index of Refraction: 1.508
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 13986.68
ACD/KOC (pH 5.5): 19157.85
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 224.29
ACD/KOC (pH 7.4): 307.22
Polar Surface Area: 50 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 339.4±5.0 cm3

Click to predict properties on the Chemicalize site


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