1-Allyl-4-methoxybenzene
COc1ccc(cc1)CC=C
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
ZFMSMUAANRJZFM-UHFFFAOYSA-N
CSID:13850247, http://www.chemspider.com/Chemical-Structure.13850247.html (accessed 10:07, Dec 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, 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) = 3.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 209.93 (Adapted Stein & Brown method) Melting Pt (deg C): -1.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.165 (Mean VP of Antoine & Grain methods) BP (exp database): 215.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 84.55 log Kow used: 3.47 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 178 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 31.112 mg/L Wat Sol (Exper. database match) = 178.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.62E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.806E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.47 (KowWin est) Log Kaw used: -1.724 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.194 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8636 Biowin2 (Non-Linear Model) : 0.9766 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7387 (weeks-months) Biowin4 (Primary Survey Model) : 3.6425 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4626 Biowin6 (MITI Non-Linear Model): 0.5077 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2104 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): 20.4 Pa (0.153 mm Hg) Log Koa (Koawin est ): 5.194 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.47E-007 Octanol/air (Koa) model: 3.84E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.31E-006 Mackay model : 1.18E-005 Octanol/air (Koa) model: 3.07E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.2623 E-12 cm3/molecule-sec Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.365 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 8.54E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 679.8 Log Koc: 2.832 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 = 1.970 (BCF = 93.24) log Kow used: 3.47 (estimated) Volatilization from Water: Henry LC: 0.000462 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.785 hours Half-Life from Model Lake : 132.5 hours (5.519 days) Removal In Wastewater Treatment: Total removal: 26.53 percent Total biodegradation: 0.16 percent Total sludge adsorption: 11.23 percent Total to Air: 15.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.348 3.92 1000 Water 11.9 900 1000 Soil 86.9 1.8e+003 1000 Sediment 0.806 8.1e+003 0 Persistence Time: 835 hr
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