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8,8-Diethoxy-2,6-dimethyl-2-octene
CCOC(CC(C)CCC=C(C)C)OCC
InChI=1S/C14H28O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,13-14H,6-8,10-11H2,1-5H3
HYNXWFKVWMABRM-UHFFFAOYSA-N
CSID:2285791, http://www.chemspider.com/Chemical-Structure.2285791.html (accessed 01:46, Apr 26, 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) = 4.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 259.01 (Adapted Stein & Brown method) Melting Pt (deg C): 3.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0278 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.024 log Kow used: 4.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21.567 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.19E-003 atm-m3/mole Group Method: 4.35E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.127E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.90 (KowWin est) Log Kaw used: -1.313 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.213 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0559 Biowin2 (Non-Linear Model) : 0.0008 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6771 (weeks-months) Biowin4 (Primary Survey Model) : 3.4988 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1896 Biowin6 (MITI Non-Linear Model): 0.0990 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3516 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): 3.69 Pa (0.0277 mm Hg) Log Koa (Koawin est ): 6.213 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.12E-007 Octanol/air (Koa) model: 4.01E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.93E-005 Mackay model : 6.5E-005 Octanol/air (Koa) model: 3.21E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 115.3295 E-12 cm3/molecule-sec Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.113 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 4.72E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 136 Log Koc: 2.134 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 = 3.074 (BCF = 1186) log Kow used: 4.90 (estimated) Volatilization from Water: Henry LC: 0.00119 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.286 hours Half-Life from Model Lake : 151.7 hours (6.319 days) Removal In Wastewater Treatment: Total removal: 78.30 percent Total biodegradation: 0.57 percent Total sludge adsorption: 69.14 percent Total to Air: 8.58 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.033 0.497 1000 Water 7.77 900 1000 Soil 77.9 1.8e+003 1000 Sediment 14.3 8.1e+003 0 Persistence Time: 1.09e+003 hr
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