Try beta.chemspider
4,5,6,7-Tetrachloro-1H-isoindole-1,3(2H)-dione
c12c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)NC2=O
InChI=1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)
LPUUYZVKCMCHLO-UHFFFAOYSA-N
CSID:66694, http://www.chemspider.com/Chemical-Structure.66694.html (accessed 11:13, Apr 25, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 499.26 (Adapted Stein & Brown method) Melting Pt (deg C): 212.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.93E-010 (Modified Grain method) Subcooled liquid VP: 2.87E-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): 7.355 log Kow used: 3.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.467 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.08E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.493E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.88 (KowWin est) Log Kaw used: -6.900 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.780 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1178 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7431 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7753 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1108 Biowin6 (MITI Non-Linear Model): 0.0014 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7730 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.83E-006 Pa (2.87E-008 mm Hg) Log Koa (Koawin est ): 10.780 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.784 Octanol/air (Koa) model: 0.0148 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.966 Mackay model : 0.984 Octanol/air (Koa) model: 0.542 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.5316 E-12 cm3/molecule-sec Half-Life = 1.934 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.203 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.975 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 82.69 Log Koc: 1.917 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 = 2.284 (BCF = 192.5) log Kow used: 3.88 (estimated) Volatilization from Water: Henry LC: 3.08E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.209E+005 hours (1.337E+004 days) Half-Life from Model Lake : 3.5E+006 hours (1.459E+005 days) Removal In Wastewater Treatment: Total removal: 24.90 percent Total biodegradation: 0.28 percent Total sludge adsorption: 24.62 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 0.0682 46.4 1000 Water 4.76 4.32e+003 1000 Soil 93.7 8.64e+003 1000 Sediment 1.48 3.89e+004 0 Persistence Time: 6.76e+003 hr
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