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2-Chloro-5-{2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy}-1,3-dimethylbenzene
CCOc1ccc(cc1)OCCOCCOc2cc(c(c(c2)C)Cl)C
InChI=1S/C20H25ClO4/c1-4-23-17-5-7-18(8-6-17)24-11-9-22-10-12-25-19-13-15(2)20(21)16(3)14-19/h5-8,13-14H,4,9-12H2,1-3H3
YLVUAKSDMVRNQI-UHFFFAOYSA-N
CSID:1706498, http://www.chemspider.com/Chemical-Structure.1706498.html (accessed 00:18, Jun 12, 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) = 5.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 430.38 (Adapted Stein & Brown method) Melting Pt (deg C): 162.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.75E-008 (Modified Grain method) Subcooled liquid VP: 1.5E-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): 0.05151 log Kow used: 5.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.01942 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.02E-009 atm-m3/mole Group Method: 1.86E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.359E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.84 (KowWin est) Log Kaw used: -7.083 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.923 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5491 Biowin2 (Non-Linear Model) : 0.5700 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8535 (months ) Biowin4 (Primary Survey Model) : 3.2405 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5997 Biowin6 (MITI Non-Linear Model): 0.2965 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5551 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): 0.0002 Pa (1.5E-006 mm Hg) Log Koa (Koawin est ): 12.923 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.015 Octanol/air (Koa) model: 2.06 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.351 Mackay model : 0.545 Octanol/air (Koa) model: 0.994 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 95.8675 E-12 cm3/molecule-sec Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.339 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.448 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.198E+004 Log Koc: 4.505 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 = 3.799 (BCF = 6298) log Kow used: 5.84 (estimated) Volatilization from Water: Henry LC: 1.86E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6015 hours (250.6 days) Half-Life from Model Lake : 6.577E+004 hours (2741 days) Removal In Wastewater Treatment: Total removal: 91.33 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.57 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 0.032 2.68 1000 Water 3.56 1.44e+003 1000 Soil 41 2.88e+003 1000 Sediment 55.4 1.3e+004 0 Persistence Time: 3.59e+003 hr
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