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3-(1-Ethoxyethoxy)-3,7-dimethyl-1,6-octadiene
CCOC(C)OC(C)(CCC=C(C)C)C=C
InChI=1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,10,13H,1,8-9,11H2,2-6H3
ZJPKYCLAROITRY-UHFFFAOYSA-N
CSID:142303, http://www.chemspider.com/Chemical-Structure.142303.html (accessed 16:05, 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) = 4.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 250.89 (Adapted Stein & Brown method) Melting Pt (deg C): 9.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0422 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.922 log Kow used: 4.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 32.484 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.83E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.301E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.73 (KowWin est) Log Kaw used: -1.442 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.172 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2389 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4695 (weeks-months) Biowin4 (Primary Survey Model) : 3.3482 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2337 Biowin6 (MITI Non-Linear Model): 0.0813 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7925 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): 5.51 Pa (0.0413 mm Hg) Log Koa (Koawin est ): 6.172 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.45E-007 Octanol/air (Koa) model: 3.65E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.97E-005 Mackay model : 4.36E-005 Octanol/air (Koa) model: 2.92E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 132.5588 E-12 cm3/molecule-sec Half-Life = 0.081 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.968 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.174999 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.222 Min Fraction sorbed to airborne particulates (phi): 3.16E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 111.3 Log Koc: 2.046 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 = 2.940 (BCF = 871.2) log Kow used: 4.73 (estimated) Volatilization from Water: Henry LC: 0.000883 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.533 hours Half-Life from Model Lake : 153.8 hours (6.408 days) Removal In Wastewater Treatment: Total removal: 72.21 percent Total biodegradation: 0.53 percent Total sludge adsorption: 62.77 percent Total to Air: 8.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0331 0.479 1000 Water 8.39 900 1000 Soil 81 1.8e+003 1000 Sediment 10.6 8.1e+003 0 Persistence Time: 1.05e+003 hr
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