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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(3E)-3,8-Nonadien-2-one
3,8-NONADIEN-2-ONE
3,8-Nonadien-2-one, (E)-
55282-90-1 [RN]
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 189.43 (Adapted Stein & Brown method) Melting Pt (deg C): -20.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.853 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 465.9 log Kow used: 2.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 98.876 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.48E-005 atm-m3/mole Group Method: 2.03E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.330E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.65 (KowWin est) Log Kaw used: -2.412 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.062 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6886 Biowin2 (Non-Linear Model) : 0.6441 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8713 (weeks ) Biowin4 (Primary Survey Model) : 3.6261 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5983 Biowin6 (MITI Non-Linear Model): 0.6941 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0750 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 104 Pa (0.78 mm Hg) Log Koa (Koawin est ): 5.062 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.88E-008 Octanol/air (Koa) model: 2.83E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.04E-006 Mackay model : 2.31E-006 Octanol/air (Koa) model: 2.27E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 80.8727 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 87.7127 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.587 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.463 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 2.735625 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 4.271250 E-17 cm3/molecule-sec [Trans-] Half-Life = 10.054 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 6.439 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 1.67E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 81.68 Log Koc: 1.912 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 = 1.340 (BCF = 21.86) log Kow used: 2.65 (estimated) Volatilization from Water: Henry LC: 2.03E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 35.11 hours (1.463 days) Half-Life from Model Lake : 481.6 hours (20.06 days) Removal In Wastewater Treatment: Total removal: 4.67 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.47 percent Total to Air: 1.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.281 2.41 1000 Water 25.9 360 1000 Soil 73.6 720 1000 Sediment 0.231 3.24e+003 0 Persistence Time: 434 hr