1-Methoxy-4-(methoxymethyl)benzene
COCc1ccc(cc1)OC
InChI=1S/C9H12O2/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,1-2H3
RSOYRXBYZFBWFS-UHFFFAOYSA-N
CSID:66337, http://www.chemspider.com/Chemical-Structure.66337.html (accessed 01:14, Apr 18, 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) = 1.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 212.13 (Adapted Stein & Brown method) Melting Pt (deg C): 5.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.196 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1930 log Kow used: 1.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2001.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.12E-006 atm-m3/mole Group Method: 5.23E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.034E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.86 (KowWin est) Log Kaw used: -3.774 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.634 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4596 Biowin2 (Non-Linear Model) : 0.4174 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7961 (weeks ) Biowin4 (Primary Survey Model) : 3.6955 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4341 Biowin6 (MITI Non-Linear Model): 0.4359 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2086 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): 24.1 Pa (0.181 mm Hg) Log Koa (Koawin est ): 5.634 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.24E-007 Octanol/air (Koa) model: 1.06E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.49E-006 Mackay model : 9.94E-006 Octanol/air (Koa) model: 8.45E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.5553 E-12 cm3/molecule-sec Half-Life = 0.319 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.825 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.22E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 36.99 Log Koc: 1.568 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 = 0.729 (BCF = 5.357) log Kow used: 1.86 (estimated) Volatilization from Water: Henry LC: 5.23E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 139.4 hours (5.807 days) Half-Life from Model Lake : 1624 hours (67.66 days) Removal In Wastewater Treatment: Total removal: 2.42 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.04 percent Total to Air: 0.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.882 7.65 1000 Water 33.6 360 1000 Soil 65.5 720 1000 Sediment 0.103 3.24e+003 0 Persistence Time: 400 hr
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