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(2-Benzylphenyl)methanol
c1ccc(cc1)Cc2ccccc2CO
InChI=1S/C14H14O/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
GTKWHQWJTVWORA-UHFFFAOYSA-N
CSID:66723, http://www.chemspider.com/Chemical-Structure.66723.html (accessed 01:59, Apr 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) = 3.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 337.05 (Adapted Stein & Brown method) Melting Pt (deg C): 91.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.77E-006 (Modified Grain method) Subcooled liquid VP: 1.22E-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): 326.7 log Kow used: 3.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 64.92 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.94E-008 atm-m3/mole Group Method: 8.29E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.212E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.10 (KowWin est) Log Kaw used: -6.101 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.201 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9946 Biowin2 (Non-Linear Model) : 0.9756 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8682 (weeks ) Biowin4 (Primary Survey Model) : 3.6275 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2460 Biowin6 (MITI Non-Linear Model): 0.2039 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1990 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): 0.00163 Pa (1.22E-005 mm Hg) Log Koa (Koawin est ): 9.201 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00184 Octanol/air (Koa) model: 0.00039 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0625 Mackay model : 0.129 Octanol/air (Koa) model: 0.0303 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.0909 E-12 cm3/molecule-sec Half-Life = 0.709 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.505 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0955 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1091 Log Koc: 3.038 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 = 1.035 (BCF = 10.85) log Kow used: 3.10 (estimated) Volatilization from Water: Henry LC: 8.29E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.945E+005 hours (4.144E+004 days) Half-Life from Model Lake : 1.085E+007 hours (4.52E+005 days) Removal In Wastewater Treatment: Total removal: 6.64 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.50 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 0.0154 17 1000 Water 16.8 360 1000 Soil 82.9 720 1000 Sediment 0.338 3.24e+003 0 Persistence Time: 771 hr
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