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- Double-bond stereo
(5E)-5-[3-Methoxy-4-(1-naphthylmethoxy)benzylidene]-3-(4-methylbenzyl)-2,4-imidazolidinedione
Cc1ccc(cc1)CN2C(=O)/C(=C\c3ccc(c(c3)OC)OCc4cccc5c4cccc5)/NC2=O
InChI=1S/C30H26N2O4/c1-20-10-12-21(13-11-20)18-32-29(33)26(31-30(32)34)16-22-14-15-27(28(17-22)35-2)36-19-24-8-5-7-23-6-3-4-9-25(23)24/h3-17H,18-19H2,1-2H3,(H,31,34)/b26-16+
QUAMEIWKGBFUQO-WGOQTCKBSA-N
CSID:12981959, http://www.chemspider.com/Chemical-Structure.12981959.html (accessed 21:37, Jul 5, 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) = 6.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 727.37 (Adapted Stein & Brown method) Melting Pt (deg C): 318.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.51E-017 (Modified Grain method) Subcooled liquid VP: 3.07E-014 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): 0.002088 log Kow used: 6.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4259e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.18E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.554E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.64 (KowWin est) Log Kaw used: -13.767 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.407 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8382 Biowin2 (Non-Linear Model) : 0.7836 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9505 (months ) Biowin4 (Primary Survey Model) : 3.2430 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2694 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6834 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): 4.09E-012 Pa (3.07E-014 mm Hg) Log Koa (Koawin est ): 20.407 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.33E+005 Octanol/air (Koa) model: 6.27E+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 = 108.1037 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.187 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs 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 : 4.644E+006 Log Koc: 6.667 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 = 4.414 (BCF = 2.596e+004) log Kow used: 6.64 (estimated) Volatilization from Water: Henry LC: 4.18E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.064E+012 hours (1.277E+011 days) Half-Life from Model Lake : 3.343E+013 hours (1.393E+012 days) Removal In Wastewater Treatment: Total removal: 93.60 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.82 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 0.0151 2.01 1000 Water 1.71 1.44e+003 1000 Soil 35.2 2.88e+003 1000 Sediment 63 1.3e+004 0 Persistence Time: 4.76e+003 hr
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