2-[4-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
CC(C)(C(=O)O)Oc1ccc(cc1)C2CC2(Cl)Cl
InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
KPSRODZRAIWAKH-UHFFFAOYSA-N
CSID:2661, http://www.chemspider.com/Chemical-Structure.2661.html (accessed 12:08, Apr 18, 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) = 3.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 368.36 (Adapted Stein & Brown method) Melting Pt (deg C): 138.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.23E-006 (Modified Grain method) MP (exp database): 115 deg C Subcooled liquid VP: 4.82E-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): 15.08 log Kow used: 3.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.1297 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.15E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.572E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.94 (KowWin est) Log Kaw used: -6.890 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.830 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2785 Biowin2 (Non-Linear Model) : 0.0083 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0212 (months ) Biowin4 (Primary Survey Model) : 3.3166 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4094 Biowin6 (MITI Non-Linear Model): 0.0559 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2391 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): 0.00643 Pa (4.82E-005 mm Hg) Log Koa (Koawin est ): 10.830 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000467 Octanol/air (Koa) model: 0.0166 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0166 Mackay model : 0.036 Octanol/air (Koa) model: 0.57 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.3670 E-12 cm3/molecule-sec Half-Life = 0.391 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.690 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0263 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 399 Log Koc: 2.601 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: 3.94 (estimated) Volatilization from Water: Henry LC: 3.15E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.161E+005 hours (1.317E+004 days) Half-Life from Model Lake : 3.448E+006 hours (1.437E+005 days) Removal In Wastewater Treatment: Total removal: 27.40 percent Total biodegradation: 0.30 percent Total sludge adsorption: 27.10 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 0.014 9.38 1000 Water 8.86 1.44e+003 1000 Soil 88.8 2.88e+003 1000 Sediment 2.29 1.3e+004 0 Persistence Time: 2.79e+003 hr
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