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2-Isopropyl-1H-benzimidazole
CC(C)c1[nH]c2ccccc2n1
InChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)
RITUGMAIQCZEOG-UHFFFAOYSA-N
CSID:20780, http://www.chemspider.com/Chemical-Structure.20780.html (accessed 16:20, Jul 27, 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) = 2.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.47 (Adapted Stein & Brown method) Melting Pt (deg C): 114.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.15E-006 (Modified Grain method) Subcooled liquid VP: 7.04E-005 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): 344 log Kow used: 2.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 235.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.13E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.607E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.69 (KowWin est) Log Kaw used: -4.535 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.225 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7259 Biowin2 (Non-Linear Model) : 0.7876 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7703 (weeks ) Biowin4 (Primary Survey Model) : 3.5480 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2594 Biowin6 (MITI Non-Linear Model): 0.2112 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2139 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): 0.00939 Pa (7.04E-005 mm Hg) Log Koa (Koawin est ): 7.225 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00032 Octanol/air (Koa) model: 4.12E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0114 Mackay model : 0.0249 Octanol/air (Koa) model: 0.00033 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 87.6833 E-12 cm3/molecule-sec Half-Life = 0.122 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.464 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0182 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 533.3 Log Koc: 2.727 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 = 1.372 (BCF = 23.54) log Kow used: 2.69 (estimated) Volatilization from Water: Henry LC: 7.13E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1041 hours (43.36 days) Half-Life from Model Lake : 1.146E+004 hours (477.5 days) Removal In Wastewater Treatment: Total removal: 3.81 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.66 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.296 2.93 1000 Water 26.4 360 1000 Soil 73.1 720 1000 Sediment 0.252 3.24e+003 0 Persistence Time: 453 hr
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