1,4-Dimethoxybenzene
COc1ccc(cc1)OC
InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
OHBQPCCCRFSCAX-UHFFFAOYSA-N
CSID:21105878, http://www.chemspider.com/Chemical-Structure.21105878.html (accessed 00:03, Apr 17, 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) = 2.15 Log Kow (Exper. database match) = 2.04 Exper. Ref: Dunn,WJ et al. (1983) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 192.33 (Adapted Stein & Brown method) Melting Pt (deg C): -5.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0854 (Modified Grain method) MP (exp database): 59 deg C BP (exp database): 212.6 deg C Subcooled liquid VP: 0.177 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): 1543 log Kow used: 2.04 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 524.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.89E-005 atm-m3/mole Group Method: 3.54E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.006E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.04 (exp database) Log Kaw used: -3.112 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.152 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9456 Biowin2 (Non-Linear Model) : 0.9961 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7776 (weeks ) Biowin4 (Primary Survey Model) : 3.8026 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7252 Biowin6 (MITI Non-Linear Model): 0.8458 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6513 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): 23.6 Pa (0.177 mm Hg) Log Koa (Koawin est ): 5.152 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.27E-007 Octanol/air (Koa) model: 3.48E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.59E-006 Mackay model : 1.02E-005 Octanol/air (Koa) model: 2.79E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.2604 E-12 cm3/molecule-sec Half-Life = 0.528 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.335 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.38E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 83.84 Log Koc: 1.923 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 = 0.871 (BCF = 7.427) log Kow used: 2.04 (expkow database) Volatilization from Water: Henry LC: 0.00354 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.394 hours Half-Life from Model Lake : 113.8 hours (4.74 days) Removal In Wastewater Treatment: Total removal: 58.99 percent Total biodegradation: 0.05 percent Total sludge adsorption: 1.21 percent Total to Air: 57.73 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 11.4 12.7 1000 Water 60.8 360 1000 Soil 27.6 720 1000 Sediment 0.224 3.24e+003 0 Persistence Time: 106 hr
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