Try beta.chemspider
2-(2,2-Dichlorovinyl)-5-hydroxybenzoic acid
Cl/C(Cl)=C\c1c(cc(O)cc1)C(=O)O
InChI=1S/C9H6Cl2O3/c10-8(11)3-5-1-2-6(12)4-7(5)9(13)14/h1-4,12H,(H,13,14)
SOLRYNIHQWBJLH-UHFFFAOYSA-N
CSID:9811965, http://www.chemspider.com/Chemical-Structure.9811965.html (accessed 23:18, Jul 6, 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) = 2.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 362.18 (Adapted Stein & Brown method) Melting Pt (deg C): 132.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.43E-006 (Modified Grain method) Subcooled liquid VP: 1.71E-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): 449.4 log Kow used: 2.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 291.41 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols-acid Vinyl/Allyl Halides-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.99E-012 atm-m3/mole Group Method: 9.74E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.757E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.80 (KowWin est) Log Kaw used: -9.913 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.713 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7065 Biowin2 (Non-Linear Model) : 0.3373 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4820 (weeks-months) Biowin4 (Primary Survey Model) : 3.3577 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4930 Biowin6 (MITI Non-Linear Model): 0.1036 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7932 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): 0.00228 Pa (1.71E-005 mm Hg) Log Koa (Koawin est ): 12.713 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00132 Octanol/air (Koa) model: 1.27 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0454 Mackay model : 0.0952 Octanol/air (Koa) model: 0.99 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.0402 E-12 cm3/molecule-sec Half-Life = 0.820 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.843 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.042943 E-17 cm3/molecule-sec Half-Life = 26.687 Days (at 7E11 mol/cm3) Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0703 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 213.8 Log Koc: 2.330 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 = 0.500 (BCF = 3.162) log Kow used: 2.80 (estimated) Volatilization from Water: Henry LC: 9.74E-013 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.177E+008 hours (3.824E+007 days) Half-Life from Model Lake : 1.001E+010 hours (4.171E+008 days) Removal In Wastewater Treatment: Total removal: 4.31 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.20 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 8.06e-006 19.1 1000 Water 13.8 900 1000 Soil 86 1.8e+003 1000 Sediment 0.204 8.1e+003 0 Persistence Time: 1.74e+003 hr
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