1,2,4,5-Benzenetetracarboxylic acid
c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
CYIDZMCFTVVTJO-UHFFFAOYSA-N
CSID:6695, http://www.chemspider.com/Chemical-Structure.6695.html (accessed 12:07, Mar 21, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 516.24 (Adapted Stein & Brown method) Melting Pt (deg C): 220.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.82E-011 (Modified Grain method) MP (exp database): 276 deg C Subcooled liquid VP: 1.06E-008 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.675e+004 log Kow used: 0.15 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.4e+004 mg/L (16 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23041 mg/L Wat Sol (Exper. database match) = 14000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.84E-022 atm-m3/mole Group Method: 2.81E-023 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.634E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.15 (KowWin est) Log Kaw used: -19.442 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.592 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3340 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9890 (weeks ) Biowin4 (Primary Survey Model) : 3.5121 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.4803 Biowin6 (MITI Non-Linear Model): 0.9946 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.7075 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): 1.41E-006 Pa (1.06E-008 mm Hg) Log Koa (Koawin est ): 19.592 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.12 Octanol/air (Koa) model: 9.59E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.987 Mackay model : 0.994 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.0999 E-12 cm3/molecule-sec Half-Life = 5.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 61.123 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.991 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1819 Log Koc: 3.260 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: 0.15 (estimated) Volatilization from Water: Henry LC: 2.81E-023 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.322E+019 hours (1.384E+018 days) Half-Life from Model Lake : 3.624E+020 hours (1.51E+019 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.82e-013 122 1000 Water 38.3 360 1000 Soil 61.7 720 1000 Sediment 0.0709 3.24e+003 0 Persistence Time: 584 hr
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