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2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(diphenylmethyl)acetamide
c1ccc(cc1)C(c2ccccc2)NC(=O)CN3C(=O)c4ccccc4C3=O
InChI=1S/C23H18N2O3/c26-20(15-25-22(27)18-13-7-8-14-19(18)23(25)28)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)
VNDSAVNJGPAGEY-UHFFFAOYSA-N
CSID:1147623, http://www.chemspider.com/Chemical-Structure.1147623.html (accessed 21:25, Jul 7, 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) = 3.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 652.61 (Adapted Stein & Brown method) Melting Pt (deg C): 283.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.15E-015 (Modified Grain method) Subcooled liquid VP: 3.05E-012 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): 6.773 log Kow used: 3.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.4408 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.73E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.986E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.32 (KowWin est) Log Kaw used: -13.400 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.720 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0375 Biowin2 (Non-Linear Model) : 0.9827 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3704 (weeks-months) Biowin4 (Primary Survey Model) : 3.5285 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1085 Biowin6 (MITI Non-Linear Model): 0.0073 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5724 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): 4.07E-010 Pa (3.05E-012 mm Hg) Log Koa (Koawin est ): 16.720 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.38E+003 Octanol/air (Koa) model: 1.29E+004 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 = 41.3271 E-12 cm3/molecule-sec Half-Life = 0.259 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.106 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 2.634E+004 Log Koc: 4.421 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 = 1.858 (BCF = 72.15) log Kow used: 3.32 (estimated) Volatilization from Water: Henry LC: 9.73E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.158E+012 hours (4.825E+010 days) Half-Life from Model Lake : 1.263E+013 hours (5.264E+011 days) Removal In Wastewater Treatment: Total removal: 9.54 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.39 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 0.00425 6.21 1000 Water 12 900 1000 Soil 87.4 1.8e+003 1000 Sediment 0.571 8.1e+003 0 Persistence Time: 1.8e+003 hr
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