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2-(4-Ethylphenyl)-1,3-bis(4-methylphenyl)imidazolidine
CCc1ccc(cc1)C2N(CCN2c3ccc(cc3)C)c4ccc(cc4)C
InChI=1S/C25H28N2/c1-4-21-9-11-22(12-10-21)25-26(23-13-5-19(2)6-14-23)17-18-27(25)24-15-7-20(3)8-16-24/h5-16,25H,4,17-18H2,1-3H3
COCYDONNNXNQPX-UHFFFAOYSA-N
CSID:4168622, http://www.chemspider.com/Chemical-Structure.4168622.html (accessed 20:36, 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) = 6.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 467.24 (Adapted Stein & Brown method) Melting Pt (deg C): 197.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.8E-009 (Modified Grain method) Subcooled liquid VP: 1.83E-007 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): 0.01404 log Kow used: 6.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0039273 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.00E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.355E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.56 (KowWin est) Log Kaw used: -4.087 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.647 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3313 Biowin2 (Non-Linear Model) : 0.0084 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6772 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5518 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3622 Biowin6 (MITI Non-Linear Model): 0.0012 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.6106 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): 2.44E-005 Pa (1.83E-007 mm Hg) Log Koa (Koawin est ): 10.647 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.123 Octanol/air (Koa) model: 0.0109 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.816 Mackay model : 0.908 Octanol/air (Koa) model: 0.466 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 322.4348 E-12 cm3/molecule-sec Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.884 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.862 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.202E+006 Log Koc: 6.343 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 = 4.354 (BCF = 2.259e+004) log Kow used: 6.56 (estimated) Volatilization from Water: Henry LC: 2E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 554.7 hours (23.11 days) Half-Life from Model Lake : 6209 hours (258.7 days) Removal In Wastewater Treatment: Total removal: 93.51 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.74 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 0.00365 0.796 1000 Water 1 4.32e+003 1000 Soil 42.2 8.64e+003 1000 Sediment 56.8 3.89e+004 0 Persistence Time: 1.01e+004 hr
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