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2-[Hydroxy(methoxy)methyl]phenol
Oc1ccccc1C(O)OC
InChI=1S/C8H10O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,8-10H,1H3
JSHADLNRMPZMGE-UHFFFAOYSA-N
Date of deprecation: 13:33, Feb 22, 2024 Reason for deprecation: Deprecate record: Testing Bad record 2
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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) = -0.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 278.87 (Adapted Stein & Brown method) Melting Pt (deg C): 70.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000193 (Modified Grain method) Subcooled liquid VP: 0.000518 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): 1e+006 log Kow used: -0.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.65E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.915E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.24 (KowWin est) Log Kaw used: -10.965 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.725 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6013 Biowin2 (Non-Linear Model) : 0.3581 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0662 (weeks ) Biowin4 (Primary Survey Model) : 3.7847 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5039 Biowin6 (MITI Non-Linear Model): 0.5555 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3641 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0691 Pa (0.000518 mm Hg) Log Koa (Koawin est ): 10.725 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.34E-005 Octanol/air (Koa) model: 0.013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00157 Mackay model : 0.00346 Octanol/air (Koa) model: 0.51 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 82.6337 E-12 cm3/molecule-sec Half-Life = 0.129 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.553 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00251 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.500 (BCF = 3.162) log Kow used: -0.24 (estimated) Volatilization from Water: Henry LC: 2.65E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.743E+009 hours (1.143E+008 days) Half-Life from Model Lake : 2.993E+010 hours (1.247E+009 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 6.23e-006 3.11 1000 Water 38.7 360 1000 Soil 61.2 720 1000 Sediment 0.0712 3.24e+003 0 Persistence Time: 581 hr
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