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2-[(3-Methoxyphenyl)amino]-2-oxoethyl 4-(2,4-dichlorophenoxy)butanoate
Clc2cc(Cl)ccc2OCCCC(=O)OCC(=O)Nc1cccc(OC)c1
InChI=1S/C19H19Cl2NO5/c1-25-15-5-2-4-14(11-15)22-18(23)12-27-19(24)6-3-9-26-17-8-7-13(20)10-16(17)21/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,22,23)
FHNKTEBVGKTNTD-UHFFFAOYSA-N
CSID:6170224, http://www.chemspider.com/Chemical-Structure.6170224.html (accessed 01:50, Jul 9, 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) = 4.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 535.78 (Adapted Stein & Brown method) Melting Pt (deg C): 229.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.15E-011 (Modified Grain method) Subcooled liquid VP: 3.37E-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): 0.2329 log Kow used: 4.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.23582 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.58E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.008E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.73 (KowWin est) Log Kaw used: -11.977 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.707 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8346 Biowin2 (Non-Linear Model) : 0.9878 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8447 (months ) Biowin4 (Primary Survey Model) : 3.5109 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6144 Biowin6 (MITI Non-Linear Model): 0.2212 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6521 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): 4.49E-007 Pa (3.37E-009 mm Hg) Log Koa (Koawin est ): 16.707 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.68 Octanol/air (Koa) model: 1.25E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 152.1051 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.844 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2179 Log Koc: 3.338 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.540E-001 L/mol-sec Kb Half-Life at pH 8: 52.081 days Kb Half-Life at pH 7: 1.426 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.945 (BCF = 881.1) log Kow used: 4.73 (estimated) Volatilization from Water: Henry LC: 2.58E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.608E+010 hours (1.92E+009 days) Half-Life from Model Lake : 5.027E+011 hours (2.094E+010 days) Removal In Wastewater Treatment: Total removal: 67.35 percent Total biodegradation: 0.61 percent Total sludge adsorption: 66.74 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 4.34e-005 1.69 1000 Water 7.09 1.44e+003 1000 Soil 81 2.88e+003 1000 Sediment 11.9 1.3e+004 0 Persistence Time: 3.24e+003 hr
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