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1-Ethoxy-2-(2-{2-[4-(2-methyl-2-propanyl)phenoxy]ethoxy}ethoxy)benzene
CCOc1ccccc1OCCOCCOc2ccc(cc2)C(C)(C)C
InChI=1S/C22H30O4/c1-5-24-20-8-6-7-9-21(20)26-17-15-23-14-16-25-19-12-10-18(11-13-19)22(2,3)4/h6-13H,5,14-17H2,1-4H3
ZMSFZQKXAFHLLR-UHFFFAOYSA-N
CSID:1706530, http://www.chemspider.com/Chemical-Structure.1706530.html (accessed 09:38, May 13, 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) = 5.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 423.30 (Adapted Stein & Brown method) Melting Pt (deg C): 158.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.6E-008 (Modified Grain method) Subcooled liquid VP: 2.24E-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): 0.1113 log Kow used: 5.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.018964 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.77E-009 atm-m3/mole Group Method: 4.15E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.068E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.50 (KowWin est) Log Kaw used: -6.627 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.127 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4413 Biowin2 (Non-Linear Model) : 0.3800 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0118 (months ) Biowin4 (Primary Survey Model) : 3.3987 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6149 Biowin6 (MITI Non-Linear Model): 0.4068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1731 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): 0.000299 Pa (2.24E-006 mm Hg) Log Koa (Koawin est ): 12.127 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.01 Octanol/air (Koa) model: 0.329 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.266 Mackay model : 0.446 Octanol/air (Koa) model: 0.963 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 79.1053 E-12 cm3/molecule-sec Half-Life = 0.135 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.623 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.356 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.262E+004 Log Koc: 4.721 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 = 3.532 (BCF = 3408) log Kow used: 5.50 (estimated) Volatilization from Water: Henry LC: 4.15E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2673 hours (111.4 days) Half-Life from Model Lake : 2.932E+004 hours (1222 days) Removal In Wastewater Treatment: Total removal: 88.28 percent Total biodegradation: 0.75 percent Total sludge adsorption: 87.53 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 0.0472 3.24 1000 Water 5.34 1.44e+003 1000 Soil 48.9 2.88e+003 1000 Sediment 45.7 1.3e+004 0 Persistence Time: 2.98e+003 hr
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