1,2-Dimethoxy-4-vinylbenzene
COc1ccc(cc1OC)C=C
InChI=1S/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3
NJXYTXADXSRFTJ-UHFFFAOYSA-N
CSID:55329, http://www.chemspider.com/Chemical-Structure.55329.html (accessed 21:41, Jun 4, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 229.65 (Adapted Stein & Brown method) Melting Pt (deg C): 21.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0796 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 443.4 log Kow used: 2.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 55.856 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.67E-006 atm-m3/mole Group Method: 1.86E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.879E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.54 (KowWin est) Log Kaw used: -3.403 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.943 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9332 Biowin2 (Non-Linear Model) : 0.9944 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7201 (weeks-months) Biowin4 (Primary Survey Model) : 3.7651 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6581 Biowin6 (MITI Non-Linear Model): 0.7141 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5261 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): 10 Pa (0.0751 mm Hg) Log Koa (Koawin est ): 5.943 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3E-007 Octanol/air (Koa) model: 2.15E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.08E-005 Mackay model : 2.4E-005 Octanol/air (Koa) model: 1.72E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.4472 E-12 cm3/molecule-sec Half-Life = 0.235 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.824 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 1.74E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 267.8 Log Koc: 2.428 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 = 1.256 (BCF = 18.02) log Kow used: 2.54 (estimated) Volatilization from Water: Henry LC: 0.00186 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.711 hours Half-Life from Model Lake : 126.1 hours (5.255 days) Removal In Wastewater Treatment: Total removal: 44.39 percent Total biodegradation: 0.07 percent Total sludge adsorption: 2.23 percent Total to Air: 42.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.91 3.95 1000 Water 38.3 900 1000 Soil 59.4 1.8e+003 1000 Sediment 0.338 8.1e+003 0 Persistence Time: 224 hr
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