Try beta.chemspider
(4,4,5,5-Tetramethyl-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)oxidanyl
CC1(C(N(C(=N1)c2ccccc2)[O])(C)C)C
InChI=1S/C13H17N2O/c1-12(2)13(3,4)15(16)11(14-12)10-8-6-5-7-9-10/h5-9H,1-4H3
JBEPQKYKYVNIBO-UHFFFAOYSA-N
CSID:134775, http://www.chemspider.com/Chemical-Structure.134775.html (accessed 19:48, Jun 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 375.87 (Adapted Stein & Brown method) Melting Pt (deg C): 139.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.64E-008 (Modified Grain method) Subcooled liquid VP: 9.37E-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): 47.12 log Kow used: 3.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 153.84 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.43E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.048E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.36 (KowWin est) Log Kaw used: -8.003 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.363 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4038 Biowin2 (Non-Linear Model) : 0.1495 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3145 (weeks-months) Biowin4 (Primary Survey Model) : 3.2308 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2407 Biowin6 (MITI Non-Linear Model): 0.0911 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4096 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): 0.000125 Pa (9.37E-007 mm Hg) Log Koa (Koawin est ): 11.363 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.024 Octanol/air (Koa) model: 0.0566 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.464 Mackay model : 0.658 Octanol/air (Koa) model: 0.819 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 70.9649 E-12 cm3/molecule-sec Half-Life = 0.151 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.809 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.561 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.946E+004 Log Koc: 4.289 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 = 1.890 (BCF = 77.63) log Kow used: 3.36 (estimated) Volatilization from Water: Henry LC: 2.43E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.56E+006 hours (1.483E+005 days) Half-Life from Model Lake : 3.884E+007 hours (1.618E+006 days) Removal In Wastewater Treatment: Total removal: 10.22 percent Total biodegradation: 0.16 percent Total sludge adsorption: 10.06 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 0.00355 3.62 1000 Water 12 900 1000 Soil 87.4 1.8e+003 1000 Sediment 0.625 8.1e+003 0 Persistence Time: 1.8e+003 hr
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