Try beta.chemspider
2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol
c1cc(ccc1C(c2ccc(cc2)Cl)(C(Cl)(Cl)Cl)O)Cl
InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
UOAMTSKGCBMZTC-UHFFFAOYSA-N
CSID:7970, http://www.chemspider.com/Chemical-Structure.7970.html (accessed 05:18, Apr 24, 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) = 5.81 Log Kow (Exper. database match) = 5.02 Exper. Ref: Saito,H et al. (1993) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 397.63 (Adapted Stein & Brown method) Melting Pt (deg C): 148.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.89E-008 (Modified Grain method) MP (exp database): 77.5 deg C BP (exp database): 193 @ 360 mm Hg deg C VP (exp database): 3.98E-07 mm Hg at 25 deg C Subcooled liquid VP: 1.32E-006 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): 0.7772 log Kow used: 5.02 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.8 mg/L (25 deg C) Exper. Ref: TOMLIN,C (1997) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.30736 mg/L Wat Sol (Exper. database match) = 0.80 Exper. Ref: TOMLIN,C (1997) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.59E-010 atm-m3/mole Group Method: Incomplete Exper Database: 2.42E-07 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.322E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.02 (exp database) Log Kaw used: -5.005 (exp database) Log Koa (KOAWIN v1.10 estimate): 10.025 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4957 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.0235 (recalcitrant) Biowin4 (Primary Survey Model) : 2.3738 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1735 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4443 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): 0.000176 Pa (1.32E-006 mm Hg) Log Koa (Koawin est ): 10.025 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.017 Octanol/air (Koa) model: 0.0026 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.381 Mackay model : 0.577 Octanol/air (Koa) model: 0.172 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.4310 E-12 cm3/molecule-sec Half-Life = 3.117 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 37.409 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.479 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.051E+004 Log Koc: 4.021 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 = 3.165 (BCF = 1464) log Kow used: 5.02 (expkow database) Volatilization from Water: Henry LC: 2.42E-007 atm-m3/mole (Henry experimental database) Half-Life from Model River: 4659 hours (194.1 days) Half-Life from Model Lake : 5.098E+004 hours (2124 days) Removal In Wastewater Treatment: Total removal: 78.33 percent Total biodegradation: 0.68 percent Total sludge adsorption: 77.64 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 0.113 74.8 1000 Water 3.44 4.32e+003 1000 Soil 79 8.64e+003 1000 Sediment 17.5 3.89e+004 0 Persistence Time: 7.59e+003 hr
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