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2-(4-Chloro-2-formylphenoxy)-N-(tetrahydro-2-furanylmethyl)acetamide
c1cc(c(cc1Cl)C=O)OCC(=O)NCC2CCCO2
InChI=1S/C14H16ClNO4/c15-11-3-4-13(10(6-11)8-17)20-9-14(18)16-7-12-2-1-5-19-12/h3-4,6,8,12H,1-2,5,7,9H2,(H,16,18)
QDEOPKCULHJCPJ-UHFFFAOYSA-N
CSID:10826210, http://www.chemspider.com/Chemical-Structure.10826210.html (accessed 06:28, May 20, 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) = 1.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 454.56 (Adapted Stein & Brown method) Melting Pt (deg C): 191.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.81E-009 (Modified Grain method) Subcooled liquid VP: 3.79E-007 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): 292.3 log Kow used: 1.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10780 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.11E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.127E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.92 (KowWin est) Log Kaw used: -13.064 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.984 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7027 Biowin2 (Non-Linear Model) : 0.9957 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2359 (months ) Biowin4 (Primary Survey Model) : 3.7223 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7624 Biowin6 (MITI Non-Linear Model): 0.5880 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6456 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): 5.05E-005 Pa (3.79E-007 mm Hg) Log Koa (Koawin est ): 14.984 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0594 Octanol/air (Koa) model: 237 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.682 Mackay model : 0.826 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.8498 E-12 cm3/molecule-sec Half-Life = 0.202 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.429 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.754 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 53.8 Log Koc: 1.731 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 = 0.775 (BCF = 5.963) log Kow used: 1.92 (estimated) Volatilization from Water: Henry LC: 2.11E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.788E+011 hours (1.995E+010 days) Half-Life from Model Lake : 5.223E+012 hours (2.176E+011 days) Removal In Wastewater Treatment: Total removal: 2.18 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.08 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 6.31e-008 4.86 1000 Water 24.9 1.44e+003 1000 Soil 75 2.88e+003 1000 Sediment 0.0899 1.3e+004 0 Persistence Time: 1.82e+003 hr
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