Try beta.chemspider
1,2,3,4,7,8,9,10-Octachlorodibenzo[c,e][1,2]dioxine
c1-2c(c(c(c(c1Cl)Cl)Cl)Cl)OOc3c2c(c(c(c3Cl)Cl)Cl)Cl
InChI=1S/C12Cl8O2/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)22-21-11(1)9(19)7(17)5(3)15
BZVWDMFQTLWNMG-UHFFFAOYSA-N
CSID:106439, http://www.chemspider.com/Chemical-Structure.106439.html (accessed 01:31, Apr 30, 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) = 7.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 441.36 (Adapted Stein & Brown method) Melting Pt (deg C): 185.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.71E-008 (Modified Grain method) Subcooled liquid VP: 8.05E-007 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): 0.0003216 log Kow used: 7.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00024231 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.03E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.217E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.73 (KowWin est) Log Kaw used: -2.542 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.272 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6466 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.6640 (recalcitrant) Biowin4 (Primary Survey Model) : 2.1206 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6266 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8316 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): 0.000107 Pa (8.05E-007 mm Hg) Log Koa (Koawin est ): 10.272 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.028 Octanol/air (Koa) model: 0.00459 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.502 Mackay model : 0.691 Octanol/air (Koa) model: 0.269 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.5095 E-12 cm3/molecule-sec Half-Life = 0.690 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.276 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.202343 E-17 cm3/molecule-sec Half-Life = 5.664 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.597 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.974E+005 Log Koc: 5.599 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 = 3.805 (BCF = 6388) log Kow used: 7.73 (estimated) Volatilization from Water: Henry LC: 7.03E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 20.05 hours Half-Life from Model Lake : 398.5 hours (16.6 days) Removal In Wastewater Treatment: Total removal: 94.00 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 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 0.0388 14.8 1000 Water 0.718 4.32e+003 1000 Soil 43.4 8.64e+003 1000 Sediment 55.9 3.89e+004 0 Persistence Time: 1.16e+004 hr
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