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2-Methyl-1-phenyl-1H-benzimidazole
Cc1nc2ccccc2n1c3ccccc3
InChI=1S/C14H12N2/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h2-10H,1H3
MGKPDVRJFZOSFV-UHFFFAOYSA-N
CSID:554851, http://www.chemspider.com/Chemical-Structure.554851.html (accessed 21:55, Apr 23, 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) = 3.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 397.05 (Adapted Stein & Brown method) Melting Pt (deg C): 139.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.91E-007 (Modified Grain method) Subcooled liquid VP: 9.8E-006 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): 37.17 log Kow used: 3.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.091 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.47E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.094E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.55 (KowWin est) Log Kaw used: -7.221 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.771 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8312 Biowin2 (Non-Linear Model) : 0.9189 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6861 (weeks-months) Biowin4 (Primary Survey Model) : 3.4836 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2080 Biowin6 (MITI Non-Linear Model): 0.1093 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1764 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): 0.00131 Pa (9.8E-006 mm Hg) Log Koa (Koawin est ): 10.771 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0023 Octanol/air (Koa) model: 0.0145 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0766 Mackay model : 0.155 Octanol/air (Koa) model: 0.537 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 97.5049 E-12 cm3/molecule-sec Half-Life = 0.110 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.316 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.116 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6884 Log Koc: 3.838 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 = 2.030 (BCF = 107.2) log Kow used: 3.55 (estimated) Volatilization from Water: Henry LC: 1.47E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.748E+005 hours (2.395E+004 days) Half-Life from Model Lake : 6.27E+006 hours (2.613E+005 days) Removal In Wastewater Treatment: Total removal: 14.22 percent Total biodegradation: 0.19 percent Total sludge adsorption: 14.03 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 0.0108 2.63 1000 Water 12.1 900 1000 Soil 86.9 1.8e+003 1000 Sediment 0.99 8.1e+003 0 Persistence Time: 1.73e+003 hr
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