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N-(4-Chloro-2,5-dimethoxyphenyl)-2-(2-isopropylphenoxy)acetamide
CC(C)c1ccccc1OCC(=O)Nc2cc(c(cc2OC)Cl)OC
InChI=1S/C19H22ClNO4/c1-12(2)13-7-5-6-8-16(13)25-11-19(22)21-15-10-17(23-3)14(20)9-18(15)24-4/h5-10,12H,11H2,1-4H3,(H,21,22)
UDIYGCSKENLOIE-UHFFFAOYSA-N
CSID:901376, http://www.chemspider.com/Chemical-Structure.901376.html (accessed 22:13, Jun 3, 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) = 4.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 495.96 (Adapted Stein & Brown method) Melting Pt (deg C): 210.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.7E-010 (Modified Grain method) Subcooled liquid VP: 3.47E-008 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): 0.6946 log Kow used: 4.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.22028 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.53E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.550E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.53 (KowWin est) Log Kaw used: -10.409 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.939 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0525 Biowin2 (Non-Linear Model) : 0.9971 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8851 (months ) Biowin4 (Primary Survey Model) : 3.5257 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4388 Biowin6 (MITI Non-Linear Model): 0.1355 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5463 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): 4.63E-006 Pa (3.47E-008 mm Hg) Log Koa (Koawin est ): 14.939 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.648 Octanol/air (Koa) model: 213 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.959 Mackay model : 0.981 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 68.6686 E-12 cm3/molecule-sec Half-Life = 0.156 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.869 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.97 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.277E+004 Log Koc: 4.106 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 = 2.786 (BCF = 611.1) log Kow used: 4.53 (estimated) Volatilization from Water: Henry LC: 9.53E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.172E+009 hours (4.883E+007 days) Half-Life from Model Lake : 1.278E+010 hours (5.327E+008 days) Removal In Wastewater Treatment: Total removal: 57.60 percent Total biodegradation: 0.53 percent Total sludge adsorption: 57.07 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 0.000152 3.74 1000 Water 7.62 1.44e+003 1000 Soil 84.3 2.88e+003 1000 Sediment 8.06 1.3e+004 0 Persistence Time: 3.11e+003 hr
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