ChemSpider 2D Image | benzoquinoneacetic acid | C8H6O4

benzoquinoneacetic acid

  • Molecular FormulaC8H6O4
  • Average mass166.131 Da
  • Monoisotopic mass166.026611 Da
  • ChemSpider ID13628337

More details:






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

(3,6-Dioxo-1,4-cyclohexadien-1-yl)acetic acid [ACD/IUPAC Name]
(3,6-Dioxo-1,4-cyclohexadien-1-yl)essigsäure [German] [ACD/IUPAC Name]
1,4-Cyclohexadiene-1-acetic acid, 3,6-dioxo- [ACD/Index Name]
10275-07-7 [RN]
Acide (3,6-dioxo-1,4-cyclohexadién-1-yl)acétique [French] [ACD/IUPAC Name]
benzoquinoneacetic acid
Benzoquinoneacetate
BQA
(3,6-dioxocyclohexa-1,4-dien-1-yl)acetic acid
1,4-Cyclohexadiene-1-aceticacid, 3,6-dioxo-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.4±0.1 g/cm3
Boiling Point: 344.0±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.6±6.0 kJ/mol
Flash Point: 176.0±18.6 °C
Index of Refraction: 1.568
Molar Refractivity: 38.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 116.2±3.0 cm3

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