Chlorine
ClCl
InChI=1S/Cl2/c1-2
KZBUYRJDOAKODT-UHFFFAOYSA-N
CSID:22933, http://www.chemspider.com/Chemical-Structure.22933.html (accessed 20:58, Dec 3, 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) = 0.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 472.51 (Adapted Stein & Brown method) Melting Pt (deg C): 169.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.99E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -101 deg C BP (exp database): -34.05 deg C VP (exp database): 5.85E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.542e+004 log Kow used: 0.85 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 6300 mg/L (25 deg C) Exper. Ref: AMOORE,JE & HAUTALA,E (1983) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 33535 mg/L Wat Sol (Exper. database match) = 6300.00 Exper. Ref: AMOORE,JE & HAUTALA,E (1983) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: 2.45E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.790E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7138 Biowin2 (Non-Linear Model) : 0.8810 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0425 (weeks ) Biowin4 (Primary Survey Model) : 3.7454 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5012 Biowin6 (MITI Non-Linear Model): 0.6174 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.8E+005 Pa (5.85E+003 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.85E-012 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.39E-010 Mackay model : 3.08E-010 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.23E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.095E-009 L/mol-sec Kb Half-Life at pH 8: 4.311E+006 years Kb Half-Life at pH 7: 4.311E+007 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.85 (estimated) Volatilization from Water: Henry LC: 0.0245 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 0.8794 hours (52.76 min) Half-Life from Model Lake : 80.2 hours (3.342 days) Removal In Wastewater Treatment: Total removal: 90.51 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.41 percent Total to Air: 90.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.1 1e+005 1000 Water 42.5 360 1000 Soil 1.3 720 1000 Sediment 0.0831 3.24e+003 0 Persistence Time: 146 hr
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