Try beta.chemspider
N-(1,3-Dioxo-2-phenyl-2,3-dihydro-1H-isoindol-5-yl)-2-furamide
c1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)NC(=O)c4ccco4
InChI=1S/C19H12N2O4/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-11H,(H,20,22)
XXYVMBQWFBBMHX-UHFFFAOYSA-N
CSID:491867, http://www.chemspider.com/Chemical-Structure.491867.html (accessed 01:54, Jul 9, 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) = 1.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 616.24 (Adapted Stein & Brown method) Melting Pt (deg C): 266.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.14E-014 (Modified Grain method) Subcooled liquid VP: 2.77E-011 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): 213.9 log Kow used: 1.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.12981 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.19E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.255E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.84 (KowWin est) Log Kaw used: -12.313 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.153 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9276 Biowin2 (Non-Linear Model) : 0.9416 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4326 (weeks-months) Biowin4 (Primary Survey Model) : 3.5786 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0595 Biowin6 (MITI Non-Linear Model): 0.0077 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5633 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): 3.69E-009 Pa (2.77E-011 mm Hg) Log Koa (Koawin est ): 14.153 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 812 Octanol/air (Koa) model: 34.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.1068 E-12 cm3/molecule-sec Half-Life = 0.198 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.372 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8047 Log Koc: 3.906 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 = 0.714 (BCF = 5.174) log Kow used: 1.84 (estimated) Volatilization from Water: Henry LC: 1.19E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.969E+010 hours (3.737E+009 days) Half-Life from Model Lake : 9.784E+011 hours (4.077E+010 days) Removal In Wastewater Treatment: Total removal: 2.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.03 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 0.00695 4.74 1000 Water 26.3 900 1000 Soil 73.6 1.8e+003 1000 Sediment 0.0855 8.1e+003 0 Persistence Time: 1.32e+003 hr
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