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2-(Butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CCCCOCC1COCCOCCOCCOCCO1
InChI=1S/C15H30O6/c1-2-3-4-19-13-15-14-20-10-9-17-6-5-16-7-8-18-11-12-21-15/h15H,2-14H2,1H3
ZUWFLWPCLOWQHY-UHFFFAOYSA-N
CSID:2900194, http://www.chemspider.com/Chemical-Structure.2900194.html (accessed 22:00, Apr 24, 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) = -0.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 376.88 (Adapted Stein & Brown method) Melting Pt (deg C): 111.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.49E-006 (Modified Grain method) Subcooled liquid VP: 6.73E-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): 1.166e+004 log Kow used: -0.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.06E-013 atm-m3/mole Group Method: 1.09E-017 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.281E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.02 (KowWin est) Log Kaw used: -10.482 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.462 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.3741 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7684 (weeks ) Biowin4 (Primary Survey Model) : 3.6163 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1975 Biowin6 (MITI Non-Linear Model): 0.0382 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0414 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): 0.00897 Pa (6.73E-005 mm Hg) Log Koa (Koawin est ): 10.462 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000334 Octanol/air (Koa) model: 0.00711 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0119 Mackay model : 0.026 Octanol/air (Koa) model: 0.363 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 100.3265 E-12 cm3/molecule-sec Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.279 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.019 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.500 (BCF = 3.162) log Kow used: -0.02 (estimated) Volatilization from Water: Henry LC: 1.09E-017 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.402E+013 hours (3.918E+012 days) Half-Life from Model Lake : 1.026E+015 hours (4.274E+013 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 2.59e-010 2.56 1000 Water 38.5 360 1000 Soil 61.4 720 1000 Sediment 0.071 3.24e+003 0 Persistence Time: 582 hr
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