1,4-Benzoquinone
C1=CC(=O)C=CC1=O CopyCopied
InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H CopyCopied
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,4-Benzoquinone [Wiki] [ACD/IUPAC Name]
1,4-Dihydrobenzoquinone
benzoquinone [Wiki]
Cyclohexadiene-1,4-dione
para-benzoquinone
para-quinone
p-benzoquinone
p-dioxobenzene
p-quinone
1,4-Diossibenzene
Benzo-chinon [German]
Benzoquinone [UN2587]
Chinon [German]
"1,4-Benzoquinone"
1,4-Benzochinon
1,4-Benzoquine
1,4-Cyclohexadiene dioxide
1,4-Cyclohexadienedione
1,4-Dioxybenzene
1,4-Dioxy-benzol
1,4-quinone
1,4-苯醌 [Chinese]
106-51-4 [RN]
19052-63-2 [RN]
2,5-CYCLOHEXADIENE-1,4-DIONE
203-405-2 [EINECS]
3225-29-4 [RN]
51226-74-5 [RN]
54560-36-0 [RN]
773967 [Beilstein]
benzo-1,4-quinone
Benzoquinone [UN2587] [Poison]
Chinon (DUTCH, GERMAN) [Dutch]
Chinone
cyclohexa-2,5-diene-1,4-dione
CYCLOHEXADIENEDIONE
Jsp000586
p-Chinon [German]
p-Chinon
Steara PBQ
12309_FLUKA [DBID]
AI3-09068 [DBID]
AIDS000153 [DBID]
AIDS-000153 [DBID]
B10358_ALDRICH [DBID]
C004532 [DBID]
C00472 [DBID]
c0261 [DBID]
C15602 [DBID]
Caswell No. 719C [DBID]
CCRIS 933 [DBID]
CHEBI:16509 [DBID]
EPA Pesticide Chemical Code 059805 [DBID]
EU-0100120 [DBID]
HSDB 1111 [DBID]
Lopac-B-1266 [DBID]
NCGC00015139-01 [DBID]
NCGC00091053-01 [DBID]
NCI-C55845 [DBID]
NSC 36324 [DBID]
NSC36324 [DBID]
RCRA waste no. U197 [DBID]
RCRA waste number U197 [DBID]
UN2587 [DBID]
USAF P-220 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.25 Log Kow (Exper. database match) = 0.20 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 218.08 (Adapted Stein & Brown method) Melting Pt (deg C): 23.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0256 (Modified Grain method) MP (exp database): 115.7 deg C VP (exp database): 9.00E-02 mm Hg at 25 deg C Subcooled liquid VP: 0.71 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.448e+004 log Kow used: 0.20 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.11e+004 mg/L (18 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11100 mg/L Wat Sol (Exper. database match) = 11100.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Quinone/Hydroquinone Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.22E-009 atm-m3/mole Group Method: Incomplete Exper Database: 4.79E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.889E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.20 (exp database) Log Kaw used: -2.708 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.908 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7097 Biowin2 (Non-Linear Model) : 0.6382 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9153 (weeks ) Biowin4 (Primary Survey Model) : 3.6473 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6508 Biowin6 (MITI Non-Linear Model): 0.7660 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2418 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 94.7 Pa (0.71 mm Hg) Log Koa (Koawin est ): 2.908 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.17E-008 Octanol/air (Koa) model: 1.99E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.14E-006 Mackay model : 2.54E-006 Octanol/air (Koa) model: 1.59E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.5120 E-12 cm3/molecule-sec Half-Life = 2.371 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.447 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.350000 E-17 cm3/molecule-sec Half-Life = 3.274 Days (at 7E11 mol/cm3) Half-Life = 78.583 Hrs Fraction sorbed to airborne particulates (phi): 1.84E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.387 Log Koc: 0.142 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.20 (expkow database) Volatilization from Water: Henry LC: 4.79E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 13.77 hours Half-Life from Model Lake : 237.4 hours (9.891 days) Removal In Wastewater Treatment: Total removal: 4.33 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.72 percent Total to Air: 2.51 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.5 32.6 1000 Water 47.4 360 1000 Soil 47 720 1000 Sediment 0.088 3.24e+003 0 Persistence Time: 281 hr
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