8-Nonen-3-one
O=C(CC)CCCC\C=C CopyCopied
InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h3H,1,4-8H2,2H3 CopyCopied
URHJFGWIPKNQFW-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 183.10 (Adapted Stein & Brown method) Melting Pt (deg C): -20.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.14 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 528.1 log Kow used: 2.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 400.75 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.02E-004 atm-m3/mole Group Method: 9.96E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.983E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.58 (KowWin est) Log Kaw used: -2.083 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.663 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6876 Biowin2 (Non-Linear Model) : 0.6375 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8668 (weeks ) Biowin4 (Primary Survey Model) : 3.6232 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6788 Biowin6 (MITI Non-Linear Model): 0.8268 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2740 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): 140 Pa (1.05 mm Hg) Log Koa (Koawin est ): 4.663 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.14E-008 Octanol/air (Koa) model: 1.13E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.74E-007 Mackay model : 1.71E-006 Octanol/air (Koa) model: 9.04E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.4348 E-12 cm3/molecule-sec Half-Life = 0.302 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.622 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 1.24E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 85.57 Log Koc: 1.932 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 = 1.283 (BCF = 19.18) log Kow used: 2.58 (estimated) Volatilization from Water: Henry LC: 9.96E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.169 hours Half-Life from Model Lake : 188.4 hours (7.851 days) Removal In Wastewater Treatment: Total removal: 8.03 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.13 percent Total to Air: 4.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.813 5.5 1000 Water 24.5 360 1000 Soil 74.5 720 1000 Sediment 0.195 3.24e+003 0 Persistence Time: 394 hr
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