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1,4-Bis[(2-ethylhexyl)oxy]benzene
CCCCC(CC)COc1ccc(cc1)OCC(CC)CCCC
InChI=1S/C22H38O2/c1-5-9-11-19(7-3)17-23-21-13-15-22(16-14-21)24-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
UBFDQSZWUFWEKI-UHFFFAOYSA-N
CSID:2816639, http://www.chemspider.com/Chemical-Structure.2816639.html (accessed 14:33, Jun 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) = 8.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 382.27 (Adapted Stein & Brown method) Melting Pt (deg C): 113.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.98E-006 (Modified Grain method) Subcooled liquid VP: 2.23E-005 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): 0.0001989 log Kow used: 8.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00010813 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.96E-004 atm-m3/mole Group Method: 5.87E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.595E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.88 (KowWin est) Log Kaw used: -1.390 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.270 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0690 Biowin2 (Non-Linear Model) : 0.9984 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9403 (weeks ) Biowin4 (Primary Survey Model) : 4.0574 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5347 Biowin6 (MITI Non-Linear Model): 0.5416 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2152 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): 0.00297 Pa (2.23E-005 mm Hg) Log Koa (Koawin est ): 10.270 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00101 Octanol/air (Koa) model: 0.00457 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0352 Mackay model : 0.0747 Octanol/air (Koa) model: 0.268 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 64.0785 E-12 cm3/molecule-sec Half-Life = 0.167 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.003 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0549 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.74E+005 Log Koc: 5.573 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 = 0.730 (BCF = 5.371) log Kow used: 8.88 (estimated) Volatilization from Water: Henry LC: 0.587 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.868 hours Half-Life from Model Lake : 173.7 hours (7.24 days) Removal In Wastewater Treatment: Total removal: 94.12 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.78 percent Total to Air: 0.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.146 4.01 1000 Water 3.74 360 1000 Soil 28.1 720 1000 Sediment 68.1 3.24e+003 0 Persistence Time: 1.24e+003 hr
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