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4-(1-Hydroxyethyl)-2-methoxyphenol
CC(c1ccc(c(c1)OC)O)O
InChI=1S/C9H12O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-6,10-11H,1-2H3
BDRRAMWDUCXAKG-UHFFFAOYSA-N
CSID:16285, http://www.chemspider.com/Chemical-Structure.16285.html (accessed 14:55, Aug 1, 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) = 0.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 294.34 (Adapted Stein & Brown method) Melting Pt (deg C): 84.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.23E-005 (Modified Grain method) Subcooled liquid VP: 0.000194 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): 3.907e+004 log Kow used: 0.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.2724e+005 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 : 1.78E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.962E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.84 (KowWin est) Log Kaw used: -10.138 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.978 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0739 Biowin2 (Non-Linear Model) : 0.9926 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9857 (weeks ) Biowin4 (Primary Survey Model) : 3.8513 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6481 Biowin6 (MITI Non-Linear Model): 0.7590 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8152 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): 0.0259 Pa (0.000194 mm Hg) Log Koa (Koawin est ): 10.978 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000116 Octanol/air (Koa) model: 0.0233 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00417 Mackay model : 0.00919 Octanol/air (Koa) model: 0.651 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.1889 E-12 cm3/molecule-sec Half-Life = 0.248 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.972 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00668 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 29.09 Log Koc: 1.464 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: 0.84 (estimated) Volatilization from Water: Henry LC: 1.78E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.266E+008 hours (1.777E+007 days) Half-Life from Model Lake : 4.654E+009 hours (1.939E+008 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 4.06e-005 5.94 1000 Water 35.8 360 1000 Soil 64.2 720 1000 Sediment 0.0697 3.24e+003 0 Persistence Time: 601 hr
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