1-(4-Isopropylbenzyl)-2-(4-isopropylphenyl)-1H-benzimidazole
CC(C)c1ccc(cc1)Cn2c3ccccc3nc2c4ccc(cc4)C(C)C
InChI=1S/C26H28N2/c1-18(2)21-11-9-20(10-12-21)17-28-25-8-6-5-7-24(25)27-26(28)23-15-13-22(14-16-23)19(3)4/h5-16,18-19H,17H2,1-4H3
QMOHHWDLZNVTJO-UHFFFAOYSA-N
CSID:3011023, http://www.chemspider.com/Chemical-Structure.3011023.html (accessed 00:46, Apr 20, 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) = 8.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 543.87 (Adapted Stein & Brown method) Melting Pt (deg C): 233.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.2E-011 (Modified Grain method) Subcooled liquid VP: 2.09E-009 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): 0.0005083 log Kow used: 8.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00015118 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.83E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.145E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.17 (KowWin est) Log Kaw used: -5.126 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.296 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6814 Biowin2 (Non-Linear Model) : 0.2554 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2351 (months ) Biowin4 (Primary Survey Model) : 3.1790 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3592 Biowin6 (MITI Non-Linear Model): 0.0020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7974 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): 2.79E-007 Pa (2.09E-009 mm Hg) Log Koa (Koawin est ): 13.296 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 10.8 Octanol/air (Koa) model: 4.85 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.997 Mackay model : 0.999 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 77.9305 E-12 cm3/molecule-sec Half-Life = 0.137 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.647 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.076E+006 Log Koc: 6.850 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 = 3.213 (BCF = 1633) log Kow used: 8.17 (estimated) Volatilization from Water: Henry LC: 1.83E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6144 hours (256 days) Half-Life from Model Lake : 6.718E+004 hours (2799 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.0274 3.3 1000 Water 1.37 1.44e+003 1000 Soil 31.6 2.88e+003 1000 Sediment 67 1.3e+004 0 Persistence Time: 4.86e+003 hr
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