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N-[4-(4-Morpholinyl)phenyl]-2-(4-propylphenoxy)acetamide
CCCc1ccc(cc1)OCC(=O)Nc2ccc(cc2)N3CCOCC3
InChI=1S/C21H26N2O3/c1-2-3-17-4-10-20(11-5-17)26-16-21(24)22-18-6-8-19(9-7-18)23-12-14-25-15-13-23/h4-11H,2-3,12-16H2,1H3,(H,22,24)
KWLGIXDUFAKVLZ-UHFFFAOYSA-N
CSID:855585, http://www.chemspider.com/Chemical-Structure.855585.html (accessed 10:10, May 13, 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) = 4.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 520.19 (Adapted Stein & Brown method) Melting Pt (deg C): 222.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.58E-011 (Modified Grain method) Subcooled liquid VP: 8.44E-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): 1.668 log Kow used: 4.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.7889 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.01E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.840E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.15 (KowWin est) Log Kaw used: -11.785 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.935 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4229 Biowin2 (Non-Linear Model) : 0.1034 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9652 (months ) Biowin4 (Primary Survey Model) : 3.2526 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0843 Biowin6 (MITI Non-Linear Model): 0.0222 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.2788 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): 1.13E-006 Pa (8.44E-009 mm Hg) Log Koa (Koawin est ): 15.935 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.67 Octanol/air (Koa) model: 2.11E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.99 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 184.4212 E-12 cm3/molecule-sec Half-Life = 0.058 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.696 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 : 4511 Log Koc: 3.654 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 = 2.495 (BCF = 312.3) log Kow used: 4.15 (estimated) Volatilization from Water: Henry LC: 4.01E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.749E+010 hours (1.145E+009 days) Half-Life from Model Lake : 2.999E+011 hours (1.249E+010 days) Removal In Wastewater Treatment: Total removal: 37.35 percent Total biodegradation: 0.38 percent Total sludge adsorption: 36.97 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 2.86e-005 1.39 1000 Water 8.29 1.44e+003 1000 Soil 88.1 2.88e+003 1000 Sediment 3.58 1.3e+004 0 Persistence Time: 2.96e+003 hr
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