8-Nonenal
C=CCCCCCCC=O
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h2,9H,1,3-8H2
QPOZUISHEWOWQL-UHFFFAOYSA-N
CSID:142279, http://www.chemspider.com/Chemical-Structure.142279.html (accessed 14:26, Mar 28, 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) = 3.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 194.97 (Adapted Stein & Brown method) Melting Pt (deg C): -20.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.463 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 175.5 log Kow used: 3.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 273.36 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.67E-004 atm-m3/mole Group Method: 2.13E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.868E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.14 (KowWin est) Log Kaw used: -1.824 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.964 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9654 Biowin2 (Non-Linear Model) : 0.9997 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9116 (weeks ) Biowin4 (Primary Survey Model) : 3.8421 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0214 Biowin6 (MITI Non-Linear Model): 0.9798 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8940 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): 56.4 Pa (0.423 mm Hg) Log Koa (Koawin est ): 4.964 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.32E-008 Octanol/air (Koa) model: 2.26E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.92E-006 Mackay model : 4.26E-006 Octanol/air (Koa) model: 1.81E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.7899 E-12 cm3/molecule-sec Half-Life = 0.185 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.221 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): 3.09E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 108.8 Log Koc: 2.036 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 = 1.714 (BCF = 51.79) log Kow used: 3.14 (estimated) Volatilization from Water: Henry LC: 0.000213 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.463 hours Half-Life from Model Lake : 148 hours (6.166 days) Removal In Wastewater Treatment: Total removal: 15.48 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.60 percent Total to Air: 8.76 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.566 3.72 1000 Water 20.5 360 1000 Soil 78.5 720 1000 Sediment 0.446 3.24e+003 0 Persistence Time: 406 hr
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