ChemSpider 2D Image | (1Z)-1-Hydroxy-2-(2-propyn-1-yl)-1,3,4-pentatrien-1-olate | C8H7O2

(1Z)-1-Hydroxy-2-(2-propyn-1-yl)-1,3,4-pentatrien-1-olate

  • Molecular FormulaC8H7O2
  • Average mass135.141 Da
  • Monoisotopic mass135.045151 Da
  • ChemSpider ID77420058
  • Charge - Charge


More details:






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

(1Z)-1-Hydroxy-2-(2-propin-1-yl)-1,3,4-pentatrien-1-olat [German] [ACD/IUPAC Name]
(1Z)-1-Hydroxy-2-(2-propyn-1-yl)-1,3,4-pentatrien-1-olate [ACD/IUPAC Name]
(1Z)-1-Hydroxy-2-(2-propyn-1-yl)-1,3,4-pentatrién-1-olate [French] [ACD/IUPAC Name]
1,3,4-Pentatriene-1,1-diol, 2-(2-propyn-1-yl)-, ion(1-), (1Z)- [ACD/Index Name]

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

Density:
Boiling Point: 330.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.3±6.0 kJ/mol
Flash Point: 168.4±22.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.18
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 49.44
Polar Surface Area: 43 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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