Try beta.chemspider
1,3-Bis(4-methoxyphenoxy)-2-propanol
COc1ccc(cc1)OCC(COc2ccc(cc2)OC)O
InChI=1S/C17H20O5/c1-19-14-3-7-16(8-4-14)21-11-13(18)12-22-17-9-5-15(20-2)6-10-17/h3-10,13,18H,11-12H2,1-2H3
PAALARAYYGIAMP-UHFFFAOYSA-N
CSID:721303, http://www.chemspider.com/Chemical-Structure.721303.html (accessed 15:11, 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) = 2.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 409.58 (Adapted Stein & Brown method) Melting Pt (deg C): 149.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.26E-009 (Modified Grain method) Subcooled liquid VP: 9.68E-008 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): 120 log Kow used: 2.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 26.015 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.11E-013 atm-m3/mole Group Method: 1.44E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.755E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.92 (KowWin est) Log Kaw used: -10.896 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.816 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2890 Biowin2 (Non-Linear Model) : 0.9998 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4541 (weeks-months) Biowin4 (Primary Survey Model) : 3.8466 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8635 Biowin6 (MITI Non-Linear Model): 0.8574 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6445 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): 1.29E-005 Pa (9.68E-008 mm Hg) Log Koa (Koawin est ): 13.816 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.232 Octanol/air (Koa) model: 16.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.894 Mackay model : 0.949 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.0281 E-12 cm3/molecule-sec Half-Life = 0.184 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.212 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.921 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3244 Log Koc: 3.511 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 = 0.899 (BCF = 7.928) log Kow used: 2.92 (estimated) Volatilization from Water: Henry LC: 1.44E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 7.093E+005 hours (2.955E+004 days) Half-Life from Model Lake : 7.738E+006 hours (3.224E+005 days) Removal In Wastewater Treatment: Total removal: 5.06 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.95 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 0.0684 4.42 1000 Water 15.5 900 1000 Soil 84.1 1.8e+003 1000 Sediment 0.296 8.1e+003 0 Persistence Time: 1.4e+003 hr
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