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2-(2-Methoxyphenyl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole
CN1c2ccccc2N(C1c3ccccc3OC)C
InChI=1S/C16H18N2O/c1-17-13-9-5-6-10-14(13)18(2)16(17)12-8-4-7-11-15(12)19-3/h4-11,16H,1-3H3
GQYBXWJOHPBUBB-UHFFFAOYSA-N
CSID:745869, http://www.chemspider.com/Chemical-Structure.745869.html (accessed 12:35, Apr 26, 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) = 2.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 358.21 (Adapted Stein & Brown method) Melting Pt (deg C): 128.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.83E-006 (Modified Grain method) Subcooled liquid VP: 8.42E-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): 80.82 log Kow used: 2.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.511 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.83E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.242E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.86 (KowWin est) Log Kaw used: -4.554 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.414 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3479 Biowin2 (Non-Linear Model) : 0.0573 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0694 (months ) Biowin4 (Primary Survey Model) : 2.9819 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0383 Biowin6 (MITI Non-Linear Model): 0.0200 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.1047 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): 0.0112 Pa (8.42E-005 mm Hg) Log Koa (Koawin est ): 7.414 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000267 Octanol/air (Koa) model: 6.37E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00956 Mackay model : 0.0209 Octanol/air (Koa) model: 0.000509 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 310.7452 E-12 cm3/molecule-sec Half-Life = 0.034 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.783 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0152 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4147 Log Koc: 3.618 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 = 1.502 (BCF = 31.78) log Kow used: 2.86 (estimated) Volatilization from Water: Henry LC: 6.83E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1369 hours (57.03 days) Half-Life from Model Lake : 1.507E+004 hours (627.7 days) Removal In Wastewater Treatment: Total removal: 4.70 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.55 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 0.0278 0.826 1000 Water 17.3 1.44e+003 1000 Soil 82.3 2.88e+003 1000 Sediment 0.314 1.3e+004 0 Persistence Time: 1.45e+003 hr
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