Try beta.chemspider
Methyl 4-({[2-(2,4-dichlorophenoxy)acetoxy]acetyl}amino)benzoate
COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Cl
InChI=1S/C18H15Cl2NO6/c1-25-18(24)11-2-5-13(6-3-11)21-16(22)9-27-17(23)10-26-15-7-4-12(19)8-14(15)20/h2-8H,9-10H2,1H3,(H,21,22)
VLTIXWROCFXXRK-UHFFFAOYSA-N
CSID:6075400, http://www.chemspider.com/Chemical-Structure.6075400.html (accessed 16:09, Apr 25, 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) = 3.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 521.53 (Adapted Stein & Brown method) Melting Pt (deg C): 222.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.99E-011 (Modified Grain method) Subcooled liquid VP: 7.8E-009 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): 1.198 log Kow used: 3.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.8958 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.712E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.90 (KowWin est) Log Kaw used: -12.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.235 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8769 Biowin2 (Non-Linear Model) : 0.9980 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0431 (months ) Biowin4 (Primary Survey Model) : 3.6628 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6642 Biowin6 (MITI Non-Linear Model): 0.2703 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7102 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): 1.04E-006 Pa (7.8E-009 mm Hg) Log Koa (Koawin est ): 16.235 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.88 Octanol/air (Koa) model: 4.22E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.99 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.9269 E-12 cm3/molecule-sec Half-Life = 1.198 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.378 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 421.7 Log Koc: 2.625 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.038E+001 L/mol-sec Kb Half-Life at pH 8: 18.553 hours Kb Half-Life at pH 7: 7.730 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.304 (BCF = 201.3) log Kow used: 3.90 (estimated) Volatilization from Water: Henry LC: 1.13E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.052E+011 hours (4.383E+009 days) Half-Life from Model Lake : 1.148E+012 hours (4.782E+010 days) Removal In Wastewater Treatment: Total removal: 25.72 percent Total biodegradation: 0.29 percent Total sludge adsorption: 25.43 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 8.9e-006 28.8 1000 Water 8.62 1.44e+003 1000 Soil 89.4 2.88e+003 1000 Sediment 2.02 1.3e+004 0 Persistence Time: 2.91e+003 hr
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