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(1-Octyl-1H-benzimidazol-2-yl)methanol
CCCCCCCCn1c2ccccc2nc1CO
InChI=1S/C16H24N2O/c1-2-3-4-5-6-9-12-18-15-11-8-7-10-14(15)17-16(18)13-19/h7-8,10-11,19H,2-6,9,12-13H2,1H3
KRKNGUJCQSTLML-UHFFFAOYSA-N
CSID:2615512, http://www.chemspider.com/Chemical-Structure.2615512.html (accessed 05:56, 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) = 4.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 442.14 (Adapted Stein & Brown method) Melting Pt (deg C): 167.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.55E-010 (Modified Grain method) Subcooled liquid VP: 1.05E-008 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): 4.386 log Kow used: 4.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.172 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 : 2.29E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.773E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.30 (KowWin est) Log Kaw used: -7.029 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.329 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8907 Biowin2 (Non-Linear Model) : 0.9066 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0821 (weeks ) Biowin4 (Primary Survey Model) : 3.8706 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4221 Biowin6 (MITI Non-Linear Model): 0.3531 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3644 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): 1.4E-006 Pa (1.05E-008 mm Hg) Log Koa (Koawin est ): 11.329 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.14 Octanol/air (Koa) model: 0.0524 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.987 Mackay model : 0.994 Octanol/air (Koa) model: 0.807 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 102.3937 E-12 cm3/molecule-sec Half-Life = 0.104 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.254 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.991 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1312 Log Koc: 3.118 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 = 0.963 (BCF = 9.175) log Kow used: 4.30 (estimated) Volatilization from Water: Henry LC: 2.29E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.126E+005 hours (1.719E+004 days) Half-Life from Model Lake : 4.501E+006 hours (1.875E+005 days) Removal In Wastewater Treatment: Total removal: 45.27 percent Total biodegradation: 0.44 percent Total sludge adsorption: 44.83 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 0.194 2.51 1000 Water 21.5 360 1000 Soil 73 720 1000 Sediment 5.29 3.24e+003 0 Persistence Time: 527 hr
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