Tetrachloroethene
C(=C(Cl)Cl)(Cl)Cl
InChI=1S/C2Cl4/c3-1(4)2(5)6
CYTYCFOTNPOANT-UHFFFAOYSA-N
CSID:13837281, http://www.chemspider.com/Chemical-Structure.13837281.html (accessed 08:23, Dec 9, 2023)
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) = 2.97 Log Kow (Exper. database match) = 3.40 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 114.28 (Adapted Stein & Brown method) Melting Pt (deg C): -60.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 17.8 (Mean VP of Antoine & Grain methods) MP (exp database): -22.3 deg C BP (exp database): 121.3 deg C VP (exp database): 1.85E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 80.32 log Kow used: 3.40 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 206 mg/L (25 deg C) Exper. Ref: HORVATH,AL ET AL. (1999) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 247.12 mg/L Wat Sol (Exper. database match) = 206.00 Exper. Ref: HORVATH,AL ET AL. (1999) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.65E-002 atm-m3/mole Group Method: 1.77E-002 atm-m3/mole Exper Database: 1.77E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.836E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.40 (exp database) Log Kaw used: -0.140 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.540 Log Koa (experimental database): 3.480 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2230 Biowin2 (Non-Linear Model) : 0.0012 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1400 (months ) Biowin4 (Primary Survey Model) : 3.2060 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2231 Biowin6 (MITI Non-Linear Model): 0.0080 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7775 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): 2.47E+003 Pa (18.5 mm Hg) Log Koa (Exp database): 3.480 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.22E-009 Octanol/air (Koa) model: 7.41E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.39E-008 Mackay model : 9.73E-008 Octanol/air (Koa) model: 5.93E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2139 E-12 cm3/molecule-sec Half-Life = 49.998 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: OVERALL Ozone Rate Constant = 0.000073 E-17 cm3/molecule-sec Half-Life = 15660.362 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 7.06E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 106.8 Log Koc: 2.029 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 = 1.918 (BCF = 82.79) log Kow used: 3.40 (expkow database) Volatilization from Water: Henry LC: 0.0177 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.357 hours Half-Life from Model Lake : 122.8 hours (5.116 days) Removal In Wastewater Treatment: Total removal: 87.91 percent Total biodegradation: 0.05 percent Total sludge adsorption: 6.32 percent Total to Air: 81.53 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 29.1 1.53e+003 1000 Water 30.4 1.44e+003 1000 Soil 38.5 2.88e+003 1000 Sediment 2.03 1.3e+004 0 Persistence Time: 279 hr
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