1-Methoxy-4-vinylbenzene
COc1ccc(cc1)C=C
InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3
UAJRSHJHFRVGMG-UHFFFAOYSA-N
CSID:11991, http://www.chemspider.com/Chemical-Structure.11991.html (accessed 20:21, Apr 16, 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) = 2.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 190.02 (Adapted Stein & Brown method) Melting Pt (deg C): -12.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.281 (Mean VP of Antoine & Grain methods) BP (exp database): 205 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 254.4 log Kow used: 2.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 96.997 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.63E-004 atm-m3/mole Group Method: 2.28E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.950E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.98 (KowWin est) Log Kaw used: -2.176 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.156 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8156 Biowin2 (Non-Linear Model) : 0.9662 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8445 (weeks ) Biowin4 (Primary Survey Model) : 3.7313 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5600 Biowin6 (MITI Non-Linear Model): 0.6365 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3322 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): 34.4 Pa (0.258 mm Hg) Log Koa (Koawin est ): 5.156 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.72E-008 Octanol/air (Koa) model: 3.52E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.15E-006 Mackay model : 6.98E-006 Octanol/air (Koa) model: 2.81E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 47.3468 E-12 cm3/molecule-sec Half-Life = 0.226 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.711 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): 5.06E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 368.6 Log Koc: 2.567 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 = 1.591 (BCF = 39.03) log Kow used: 2.98 (estimated) Volatilization from Water: Henry LC: 0.00228 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.479 hours Half-Life from Model Lake : 113.3 hours (4.72 days) Removal In Wastewater Treatment: Total removal: 49.89 percent Total biodegradation: 0.08 percent Total sludge adsorption: 3.99 percent Total to Air: 45.83 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.4 3.83 1000 Water 27.1 360 1000 Soil 71.1 720 1000 Sediment 0.436 3.24e+003 0 Persistence Time: 241 hr
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