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2-Methyl-1-(2,3,5,6-tetramethylbenzyl)-1H-benzimidazole
Cc1cc(c(c(c1C)Cn2c(nc3c2cccc3)C)C)C
InChI=1S/C19H22N2/c1-12-10-13(2)15(4)17(14(12)3)11-21-16(5)20-18-8-6-7-9-19(18)21/h6-10H,11H2,1-5H3
LKQDXIQLJZFZFZ-UHFFFAOYSA-N
CSID:834834, http://www.chemspider.com/Chemical-Structure.834834.html (accessed 07:10, Apr 25, 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) = 6.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 448.01 (Adapted Stein & Brown method) Melting Pt (deg C): 180.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.34E-008 (Modified Grain method) Subcooled liquid VP: 5.51E-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): 0.07884 log Kow used: 6.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.040231 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.226E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.23 (KowWin est) Log Kaw used: -4.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.606 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8884 Biowin2 (Non-Linear Model) : 0.8745 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2097 (months ) Biowin4 (Primary Survey Model) : 3.1034 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0766 Biowin6 (MITI Non-Linear Model): 0.0293 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5073 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): 7.35E-005 Pa (5.51E-007 mm Hg) Log Koa (Koawin est ): 10.606 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0408 Octanol/air (Koa) model: 0.00991 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.596 Mackay model : 0.766 Octanol/air (Koa) model: 0.442 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 145.2159 E-12 cm3/molecule-sec Half-Life = 0.074 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.884 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.681 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.294E+004 Log Koc: 4.968 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 = 4.094 (BCF = 1.242e+004) log Kow used: 6.23 (estimated) Volatilization from Water: Henry LC: 1.03E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 950.1 hours (39.59 days) Half-Life from Model Lake : 1.051E+004 hours (437.7 days) Removal In Wastewater Treatment: Total removal: 92.92 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.15 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 0.0192 1.77 1000 Water 2.38 1.44e+003 1000 Soil 35.1 2.88e+003 1000 Sediment 62.5 1.3e+004 0 Persistence Time: 4.12e+003 hr
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