Try beta.chemspider
2-{4-[2-(4-Morpholinyl)ethoxy]phenyl}-1H-isoindole-1,3(2H)-dione
c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)OCCN4CCOCC4
InChI=1S/C20H20N2O4/c23-19-17-3-1-2-4-18(17)20(24)22(19)15-5-7-16(8-6-15)26-14-11-21-9-12-25-13-10-21/h1-8H,9-14H2
SENFYQSMXZLKID-UHFFFAOYSA-N
CSID:49153, http://www.chemspider.com/Chemical-Structure.49153.html (accessed 11:36, Apr 26, 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) = 1.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 562.91 (Adapted Stein & Brown method) Melting Pt (deg C): 241.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.04E-012 (Modified Grain method) Subcooled liquid VP: 6.77E-010 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): 383.1 log Kow used: 1.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 47.278 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.40E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.679E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.40 (KowWin est) Log Kaw used: -12.242 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.642 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1591 Biowin2 (Non-Linear Model) : 0.0045 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0988 (months ) Biowin4 (Primary Survey Model) : 3.1187 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0191 Biowin6 (MITI Non-Linear Model): 0.0109 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5095 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): 9.03E-008 Pa (6.77E-010 mm Hg) Log Koa (Koawin est ): 13.642 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 33.2 Octanol/air (Koa) model: 10.8 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 190.2269 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.675 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 : 86.89 Log Koc: 1.939 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 = 0.377 (BCF = 2.381) log Kow used: 1.40 (estimated) Volatilization from Water: Henry LC: 1.4E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.851E+010 hours (3.271E+009 days) Half-Life from Model Lake : 8.564E+011 hours (3.568E+010 days) Removal In Wastewater Treatment: Total removal: 1.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 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 0.00028 1.35 1000 Water 36.7 1.44e+003 1000 Soil 63.2 2.88e+003 1000 Sediment 0.0896 1.3e+004 0 Persistence Time: 1.43e+003 hr
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