1-(4-Methoxyphenyl)-1-phenylethanol
CC(c1ccccc1)(c2ccc(cc2)OC)O
InChI=1S/C15H16O2/c1-15(16,12-6-4-3-5-7-12)13-8-10-14(17-2)11-9-13/h3-11,16H,1-2H3
RYESRDXJZHXPKV-UHFFFAOYSA-N
CSID:2056989, http://www.chemspider.com/Chemical-Structure.2056989.html (accessed 15:57, Mar 29, 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) = 3.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 340.06 (Adapted Stein & Brown method) Melting Pt (deg C): 102.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.78E-006 (Modified Grain method) Subcooled liquid VP: 1E-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): 170.6 log Kow used: 3.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 84.282 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.38E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.134E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.24 (KowWin est) Log Kaw used: -7.249 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.489 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7149 Biowin2 (Non-Linear Model) : 0.8900 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4464 (weeks-months) Biowin4 (Primary Survey Model) : 3.4469 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3706 Biowin6 (MITI Non-Linear Model): 0.2274 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1200 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): 0.00133 Pa (1E-005 mm Hg) Log Koa (Koawin est ): 10.489 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00225 Octanol/air (Koa) model: 0.00757 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0752 Mackay model : 0.153 Octanol/air (Koa) model: 0.377 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.5798 E-12 cm3/molecule-sec Half-Life = 0.339 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.064 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.114 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 617.2 Log Koc: 2.790 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 = 1.798 (BCF = 62.81) log Kow used: 3.24 (estimated) Volatilization from Water: Henry LC: 1.38E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.41E+005 hours (2.671E+004 days) Half-Life from Model Lake : 6.993E+006 hours (2.914E+005 days) Removal In Wastewater Treatment: Total removal: 8.33 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.19 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 0.0109 8.13 1000 Water 12.3 900 1000 Soil 87.2 1.8e+003 1000 Sediment 0.485 8.1e+003 0 Persistence Time: 1.77e+003 hr
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