1-Methoxy-4-methylbenzene
Cc1ccc(cc1)OC
InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
CHLICZRVGGXEOD-UHFFFAOYSA-N
CSID:13865438, http://www.chemspider.com/Chemical-Structure.13865438.html (accessed 22:45, Apr 19, 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) = 2.62 Log Kow (Exper. database match) = 2.66 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 170.80 (Adapted Stein & Brown method) Melting Pt (deg C): -23.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.2 (Mean VP of Antoine & Grain methods) MP (exp database): -32 deg C BP (exp database): 175.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 527.1 log Kow used: 2.66 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 293.93 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.52E-004 atm-m3/mole Group Method: 4.66E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.660E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.66 (exp database) Log Kaw used: -1.842 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.502 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8760 Biowin2 (Non-Linear Model) : 0.9837 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7962 (weeks ) Biowin4 (Primary Survey Model) : 3.6801 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6187 Biowin6 (MITI Non-Linear Model): 0.7556 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1810 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): 145 Pa (1.09 mm Hg) Log Koa (Koawin est ): 4.502 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.06E-008 Octanol/air (Koa) model: 7.8E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.46E-007 Mackay model : 1.65E-006 Octanol/air (Koa) model: 6.24E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.3265 E-12 cm3/molecule-sec Half-Life = 0.391 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.697 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.2E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 190.8 Log Koc: 2.280 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 = 1.348 (BCF = 22.29) log Kow used: 2.66 (expkow database) Volatilization from Water: Henry LC: 0.00466 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.267 hours Half-Life from Model Lake : 106.5 hours (4.437 days) Removal In Wastewater Treatment: Total removal: 65.46 percent Total biodegradation: 0.05 percent Total sludge adsorption: 2.10 percent Total to Air: 63.31 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.37 9.39 1000 Water 45.3 360 1000 Soil 48 720 1000 Sediment 0.411 3.24e+003 0 Persistence Time: 140 hr
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