Try beta.chemspider
(2,4-Dichloro-6-methylphenoxy)acetic acid
Cc1cc(cc(c1OCC(=O)O)Cl)Cl
InChI=1S/C9H8Cl2O3/c1-5-2-6(10)3-7(11)9(5)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
SEGKFMXJNIEDQN-UHFFFAOYSA-N
CSID:89585, http://www.chemspider.com/Chemical-Structure.89585.html (accessed 22:41, Jun 15, 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) = 3.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 341.48 (Adapted Stein & Brown method) Melting Pt (deg C): 120.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.37E-005 (Modified Grain method) Subcooled liquid VP: 0.00021 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): 140.7 log Kow used: 3.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 215.63 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 : 1.02E-008 atm-m3/mole Group Method: 5.87E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.210E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.16 (KowWin est) Log Kaw used: -6.380 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.540 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5301 Biowin2 (Non-Linear Model) : 0.2907 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4981 (weeks-months) Biowin4 (Primary Survey Model) : 3.5721 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5089 Biowin6 (MITI Non-Linear Model): 0.2202 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1403 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): 0.028 Pa (0.00021 mm Hg) Log Koa (Koawin est ): 9.540 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000107 Octanol/air (Koa) model: 0.000851 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00386 Mackay model : 0.0085 Octanol/air (Koa) model: 0.0638 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.1080 E-12 cm3/molecule-sec Half-Life = 1.505 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.057 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00618 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.63 Log Koc: 1.687 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: 3.16 (estimated) Volatilization from Water: Henry LC: 1.02E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.801E+004 hours (3667 days) Half-Life from Model Lake : 9.602E+005 hours (4.001E+004 days) Removal In Wastewater Treatment: Total removal: 7.31 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.17 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 0.0714 36.1 1000 Water 12.7 900 1000 Soil 86.8 1.8e+003 1000 Sediment 0.417 8.1e+003 0 Persistence Time: 1.72e+003 hr
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