Try beta.chemspider
6,7,8,9-Tetrachloro-1,4-dioxaspiro[4.4]nona-6,8-diene
C1COC2(O1)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI=1S/C7H4Cl4O2/c8-3-4(9)6(11)7(5(3)10)12-1-2-13-7/h1-2H2
DXQQKKGWMVTLOJ-UHFFFAOYSA-N
CSID:2633843, http://www.chemspider.com/Chemical-Structure.2633843.html (accessed 04:58, Jul 6, 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) = 3.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 274.42 (Adapted Stein & Brown method) Melting Pt (deg C): 78.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00403 (Modified Grain method) Subcooled liquid VP: 0.0129 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): 14.68 log Kow used: 3.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 89.641 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.15E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.461E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.68 (KowWin est) Log Kaw used: -3.677 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.357 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7014 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6982 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8945 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0473 Biowin6 (MITI Non-Linear Model): 0.0010 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3113 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): 1.72 Pa (0.0129 mm Hg) Log Koa (Koawin est ): 7.357 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.74E-006 Octanol/air (Koa) model: 5.58E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.3E-005 Mackay model : 0.00014 Octanol/air (Koa) model: 0.000447 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.6507 E-12 cm3/molecule-sec Half-Life = 1.108 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.300 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.000339 E-17 cm3/molecule-sec Half-Life = 3383.412 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.000101 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10.67 Log Koc: 1.028 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 = 2.132 (BCF = 135.4) log Kow used: 3.68 (estimated) Volatilization from Water: Henry LC: 5.15E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 185.6 hours (7.735 days) Half-Life from Model Lake : 2161 hours (90.04 days) Removal In Wastewater Treatment: Total removal: 18.03 percent Total biodegradation: 0.22 percent Total sludge adsorption: 17.57 percent Total to Air: 0.24 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.225 26.6 1000 Water 6.95 4.32e+003 1000 Soil 91.6 8.64e+003 1000 Sediment 1.25 3.89e+004 0 Persistence Time: 4.24e+003 hr
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