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1-(4-Allyl-2-methoxyphenoxy)-3-ethoxy-2-propanol
CCOCC(COc1ccc(cc1OC)CC=C)O
InChI=1S/C15H22O4/c1-4-6-12-7-8-14(15(9-12)17-3)19-11-13(16)10-18-5-2/h4,7-9,13,16H,1,5-6,10-11H2,2-3H3
DMCMPDJEQZVXQN-UHFFFAOYSA-N
CSID:2142617, http://www.chemspider.com/Chemical-Structure.2142617.html (accessed 22:43, Apr 26, 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) = 2.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 358.92 (Adapted Stein & Brown method) Melting Pt (deg C): 113.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.9E-007 (Modified Grain method) Subcooled liquid VP: 2.89E-006 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): 818.8 log Kow used: 2.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 344.91 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.74E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.669E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.20 (KowWin est) Log Kaw used: -8.951 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.151 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7506 Biowin2 (Non-Linear Model) : 0.8796 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5708 (weeks-months) Biowin4 (Primary Survey Model) : 3.6689 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5588 Biowin6 (MITI Non-Linear Model): 0.4820 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1920 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): 0.000385 Pa (2.89E-006 mm Hg) Log Koa (Koawin est ): 11.151 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00779 Octanol/air (Koa) model: 0.0348 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.219 Mackay model : 0.384 Octanol/air (Koa) model: 0.735 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 99.6247 E-12 cm3/molecule-sec Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.288 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): 0.302 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 28.1 Log Koc: 1.449 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 = 0.344 (BCF = 2.21) log Kow used: 2.20 (estimated) Volatilization from Water: Henry LC: 2.74E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.487E+007 hours (1.453E+006 days) Half-Life from Model Lake : 3.804E+008 hours (1.585E+007 days) Removal In Wastewater Treatment: Total removal: 2.48 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.38 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000321 2.32 1000 Water 19.7 900 1000 Soil 80.2 1.8e+003 1000 Sediment 0.0989 8.1e+003 0 Persistence Time: 1.52e+003 hr
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