Try beta.chemspider
(Ethoxymethyl)cyclododecane
CCOCC1CCCCCCCCCCC1
InChI=1S/C15H30O/c1-2-16-14-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3
OGYDYKGQVKCZED-UHFFFAOYSA-N
CSID:2286186, http://www.chemspider.com/Chemical-Structure.2286186.html (accessed 19:52, Apr 29, 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) = 6.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 293.17 (Adapted Stein & Brown method) Melting Pt (deg C): 25.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00497 (Modified Grain method) Subcooled liquid VP: 0.00506 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): 0.1419 log Kow used: 6.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20.686 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.51E-002 atm-m3/mole Group Method: 5.60E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.043E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.27 (KowWin est) Log Kaw used: -0.209 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.479 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2924 Biowin2 (Non-Linear Model) : 0.0257 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6902 (weeks-months) Biowin4 (Primary Survey Model) : 3.5113 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3687 Biowin6 (MITI Non-Linear Model): 0.3172 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7295 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): 0.675 Pa (0.00506 mm Hg) Log Koa (Koawin est ): 6.479 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.45E-006 Octanol/air (Koa) model: 7.4E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000161 Mackay model : 0.000356 Octanol/air (Koa) model: 5.92E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.9973 E-12 cm3/molecule-sec Half-Life = 0.274 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.291 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000258 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3773 Log Koc: 3.577 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 = 4.124 (BCF = 1.332e+004) log Kow used: 6.27 (estimated) Volatilization from Water: Henry LC: 0.0056 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.693 hours Half-Life from Model Lake : 144.6 hours (6.026 days) Removal In Wastewater Treatment: Total removal: 93.39 percent Total biodegradation: 0.74 percent Total sludge adsorption: 90.49 percent Total to Air: 2.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.153 6.58 1000 Water 2.91 900 1000 Soil 37.6 1.8e+003 1000 Sediment 59.3 8.1e+003 0 Persistence Time: 2.29e+003 hr
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