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N-(3,5-Dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxo-4-imidazolidinyl]acetamide
COCCN1C(C(=O)N(C1=O)c2cccc(c2)OC)CC(=O)Nc3cc(cc(c3)OC)OC
InChI=1S/C23H27N3O7/c1-30-9-8-25-20(14-21(27)24-15-10-18(32-3)13-19(11-15)33-4)22(28)26(23(25)29)16-6-5-7-17(12-16)31-2/h5-7,10-13,20H,8-9,14H2,1-4H3,(H,24,27)
GMARETKYIOSGBP-UHFFFAOYSA-N
CSID:17520657, http://www.chemspider.com/Chemical-Structure.17520657.html (accessed 06:09, May 3, 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) = 0.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 689.91 (Adapted Stein & Brown method) Melting Pt (deg C): 301.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.55E-016 (Modified Grain method) Subcooled liquid VP: 3.11E-013 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): 51.37 log Kow used: 0.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.85812 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.35E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.988E-018 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.12 (KowWin est) Log Kaw used: -18.586 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.706 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7883 Biowin2 (Non-Linear Model) : 0.9255 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9509 (months ) Biowin4 (Primary Survey Model) : 3.6147 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2848 Biowin6 (MITI Non-Linear Model): 0.0207 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3239 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): 4.15E-011 Pa (3.11E-013 mm Hg) Log Koa (Koawin est ): 18.706 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.23E+004 Octanol/air (Koa) model: 1.25E+006 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 = 242.3510 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.530 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 : 916 Log Koc: 2.962 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: 0.12 (estimated) Volatilization from Water: Henry LC: 6.35E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.972E+017 hours (8.217E+015 days) Half-Life from Model Lake : 2.151E+018 hours (8.964E+016 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 4.77e-007 1.06 1000 Water 48.6 1.44e+003 1000 Soil 51.4 2.88e+003 1000 Sediment 0.0956 1.3e+004 0 Persistence Time: 1.19e+003 hr
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