Try beta.chemspider
1,1'-(2,4-Cyclopentadien-1-ylidenemethylene)bis(4-chlorobenzene)
c1cc(ccc1C(=C2C=CC=C2)c3ccc(cc3)Cl)Cl
InChI=1S/C18H12Cl2/c19-16-9-5-14(6-10-16)18(13-3-1-2-4-13)15-7-11-17(20)12-8-15/h1-12H
FXJUTDOWCGGCDL-UHFFFAOYSA-N
CSID:10008110, http://www.chemspider.com/Chemical-Structure.10008110.html (accessed 13:56, Jul 13, 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) = 6.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 386.56 (Adapted Stein & Brown method) Melting Pt (deg C): 131.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.51E-006 (Modified Grain method) Subcooled liquid VP: 1.76E-005 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): 0.03192 log Kow used: 6.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.019523 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.42E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.862E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.55 (KowWin est) Log Kaw used: -2.654 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.204 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2403 Biowin2 (Non-Linear Model) : 0.0051 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1248 (months ) Biowin4 (Primary Survey Model) : 3.0854 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0751 Biowin6 (MITI Non-Linear Model): 0.0042 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0260 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): 0.00235 Pa (1.76E-005 mm Hg) Log Koa (Koawin est ): 9.204 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00128 Octanol/air (Koa) model: 0.000393 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0441 Mackay model : 0.0928 Octanol/air (Koa) model: 0.0305 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 203.0006 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.632 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 116.815002 E-17 cm3/molecule-sec Half-Life = 0.010 Days (at 7E11 mol/cm3) Half-Life = 14.127 Min Fraction sorbed to airborne particulates (phi): 0.0685 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.322E+005 Log Koc: 5.801 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 = 4.340 (BCF = 2.188e+004) log Kow used: 6.55 (estimated) Volatilization from Water: Henry LC: 5.42E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 20.45 hours Half-Life from Model Lake : 368.1 hours (15.34 days) Removal In Wastewater Treatment: Total removal: 93.50 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.71 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00231 0.198 1000 Water 1.89 1.44e+003 1000 Soil 32.6 2.88e+003 1000 Sediment 65.5 1.3e+004 0 Persistence Time: 4.24e+003 hr
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