Try beta.chemspider
1,3,5,7,8,9,10,10-Octachloro-4-oxatricyclo[5.2.1.0~2,6~]dec-8-ene
C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H
LRWHHSXTGZSMSN-UHFFFAOYSA-N
CSID:8914, http://www.chemspider.com/Chemical-Structure.8914.html (accessed 00:51, May 7, 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) = 4.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 354.22 (Adapted Stein & Brown method) Melting Pt (deg C): 137.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.17E-005 (Modified Grain method) MP (exp database): 121 deg C VP (exp database): 2.92E-06 mm Hg at 25 deg C Subcooled liquid VP: 2.6E-005 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): 0.3628 log Kow used: 4.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.15568 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.88E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.747E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.51 (KowWin est) Log Kaw used: -5.619 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.129 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.2388 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.2588 (recalcitrant) Biowin4 (Primary Survey Model) : 1.9787 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2500 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3833 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): 0.00347 Pa (2.6E-005 mm Hg) Log Koa (Koawin est ): 10.129 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000865 Octanol/air (Koa) model: 0.0033 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0303 Mackay model : 0.0647 Octanol/air (Koa) model: 0.209 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.5511 E-12 cm3/molecule-sec Half-Life = 1.927 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.122 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003579 E-17 cm3/molecule-sec Half-Life = 320.239 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.0475 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4715 Log Koc: 3.673 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 = 2.774 (BCF = 594.8) log Kow used: 4.51 (estimated) Volatilization from Water: Henry LC: 5.88E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.021E+004 hours (842 days) Half-Life from Model Lake : 2.206E+005 hours (9192 days) Removal In Wastewater Treatment: Total removal: 56.56 percent Total biodegradation: 0.53 percent Total sludge adsorption: 56.03 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 0.067 46 1000 Water 4.11 4.32e+003 1000 Soil 89.4 8.64e+003 1000 Sediment 6.41 3.89e+004 0 Persistence Time: 7.21e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight