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[1-(1-Naphthylmethyl)-1H-benzimidazol-2-yl]methanol
c1ccc2c(c1)cccc2Cn3c4ccccc4nc3CO
InChI=1S/C19H16N2O/c22-13-19-20-17-10-3-4-11-18(17)21(19)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,22H,12-13H2
IIFKREJQNZCTQL-UHFFFAOYSA-N
CSID:770182, http://www.chemspider.com/Chemical-Structure.770182.html (accessed 18:04, May 16, 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) = 3.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 515.96 (Adapted Stein & Brown method) Melting Pt (deg C): 220.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.99E-013 (Modified Grain method) Subcooled liquid VP: 6.06E-011 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): 0.7011 log Kow used: 3.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.4507 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.49E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.700E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.75 (KowWin est) Log Kaw used: -9.992 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.742 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7690 Biowin2 (Non-Linear Model) : 0.5080 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7219 (weeks-months) Biowin4 (Primary Survey Model) : 3.5612 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0056 Biowin6 (MITI Non-Linear Model): 0.0236 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0956 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): 8.08E-009 Pa (6.06E-011 mm Hg) Log Koa (Koawin est ): 13.742 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 371 Octanol/air (Koa) model: 13.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 147.4703 E-12 cm3/molecule-sec Half-Life = 0.073 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.870 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8241 Log Koc: 3.916 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 = 1.536 (BCF = 34.36) log Kow used: 3.75 (estimated) Volatilization from Water: Henry LC: 2.49E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.993E+008 hours (1.664E+007 days) Half-Life from Model Lake : 4.356E+009 hours (1.815E+008 days) Removal In Wastewater Treatment: Total removal: 20.08 percent Total biodegradation: 0.24 percent Total sludge adsorption: 19.84 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 0.0576 1.74 1000 Water 16.1 900 1000 Soil 81.7 1.8e+003 1000 Sediment 2.11 8.1e+003 0 Persistence Time: 1.19e+003 hr
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