Try beta.chemspider
1-[(2,4-Dichlorophenyl)amino]-1-oxo-2-propanyl (3,4,5-trimethoxyphenyl)acetate
CC(C(=O)Nc1ccc(cc1Cl)Cl)OC(=O)Cc2cc(c(c(c2)OC)OC)OC
InChI=1S/C20H21Cl2NO6/c1-11(20(25)23-15-6-5-13(21)10-14(15)22)29-18(24)9-12-7-16(26-2)19(28-4)17(8-12)27-3/h5-8,10-11H,9H2,1-4H3,(H,23,25)
SSEMHASQCGBLER-UHFFFAOYSA-N
CSID:3840726, http://www.chemspider.com/Chemical-Structure.3840726.html (accessed 08:54, May 11, 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) = 3.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 552.43 (Adapted Stein & Brown method) Melting Pt (deg C): 237.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.48E-012 (Modified Grain method) Subcooled liquid VP: 1.26E-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): 1.701 log Kow used: 3.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.20494 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.27E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.217E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.50 (KowWin est) Log Kaw used: -13.285 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.785 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0069 Biowin2 (Non-Linear Model) : 0.9989 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6453 (recalcitrant) Biowin4 (Primary Survey Model) : 3.4761 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4011 Biowin6 (MITI Non-Linear Model): 0.0508 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9135 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): 1.68E-007 Pa (1.26E-009 mm Hg) Log Koa (Koawin est ): 16.785 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 17.9 Octanol/air (Koa) model: 1.5E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 205.6367 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.624 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5861 Log Koc: 3.768 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.523E-001 L/mol-sec Kb Half-Life at pH 8: 52.684 days Kb Half-Life at pH 7: 1.442 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.997 (BCF = 99.26) log Kow used: 3.50 (estimated) Volatilization from Water: Henry LC: 1.27E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.695E+011 hours (4.04E+010 days) Half-Life from Model Lake : 1.058E+013 hours (4.407E+011 days) Removal In Wastewater Treatment: Total removal: 13.03 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.85 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 2.54e-006 1.25 1000 Water 4.81 4.32e+003 1000 Soil 94.7 8.64e+003 1000 Sediment 0.523 3.89e+004 0 Persistence Time: 7.58e+003 hr
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