Try beta.chemspider
4-[Bis(2-methoxyethyl)sulfamoyl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)benzamide
CN1C(=O)c2ccc(cc2C1=O)NC(=O)c3ccc(cc3)S(=O)(=O)N(CCOC)CCOC
InChI=1S/C22H25N3O7S/c1-24-21(27)18-9-6-16(14-19(18)22(24)28)23-20(26)15-4-7-17(8-5-15)33(29,30)25(10-12-31-2)11-13-32-3/h4-9,14H,10-13H2,1-3H3,(H,23,26)
AWPDRBXKMDKXQN-UHFFFAOYSA-N
CSID:3792626, http://www.chemspider.com/Chemical-Structure.3792626.html (accessed 22:23, Apr 29, 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) = 0.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 751.05 (Adapted Stein & Brown method) Melting Pt (deg C): 329.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.49E-018 (Modified Grain method) Subcooled liquid VP: 7.03E-015 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): 248.4 log Kow used: 0.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 85.542 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.64E-022 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.272E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.72 (KowWin est) Log Kaw used: -19.722 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.442 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0366 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0768 (months ) Biowin4 (Primary Survey Model) : 3.3476 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3165 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0491 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): 9.37E-013 Pa (7.03E-015 mm Hg) Log Koa (Koawin est ): 20.442 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.2E+006 Octanol/air (Koa) model: 6.79E+007 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 = 97.1867 E-12 cm3/molecule-sec Half-Life = 0.110 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.321 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 : 98.41 Log Koc: 1.993 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 = 0.500 (BCF = 3.162) log Kow used: 0.72 (estimated) Volatilization from Water: Henry LC: 4.64E-022 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.752E+018 hours (1.146E+017 days) Half-Life from Model Lake : 3.002E+019 hours (1.251E+018 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 1.79e-006 2.64 1000 Water 46 1.44e+003 1000 Soil 54 2.88e+003 1000 Sediment 0.094 1.3e+004 0 Persistence Time: 1.23e+003 hr
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