13-Oxotetracosanoic acid
O=C(CCCCCCCCCCC)CCCCCCCCCCCC(=O)O CopyCopied
InChI=1S/C24H46O3/c1-2-3-4-5-6-8-11-14-17-20-23(25)21-18-15-12-9-7-10-13-16-19-22-24(26)27/h2-22H2,1H3,(H,26,27) CopyCopied
DVLGULRKOZUPEU-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) = 8.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 474.33 (Adapted Stein & Brown method) Melting Pt (deg C): 190.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.26E-009 (Modified Grain method) Subcooled liquid VP: 1.22E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.000274 log Kow used: 8.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00029565 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-anionic-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-007 atm-m3/mole Group Method: 3.88E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.153E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.84 (KowWin est) Log Kaw used: -5.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.199 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7533 Biowin2 (Non-Linear Model) : 0.4035 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9941 (weeks ) Biowin4 (Primary Survey Model) : 3.9281 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9109 Biowin6 (MITI Non-Linear Model): 0.9232 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7795 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): 1.63E-005 Pa (1.22E-007 mm Hg) Log Koa (Koawin est ): 14.199 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.184 Octanol/air (Koa) model: 38.8 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.869 Mackay model : 0.937 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.5775 E-12 cm3/molecule-sec Half-Life = 0.309 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.712 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.903 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.207E+004 Log Koc: 4.624 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 = 1.000 (BCF = 10) log Kow used: 8.84 (estimated) Volatilization from Water: Henry LC: 3.88E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.952E+004 hours (1230 days) Half-Life from Model Lake : 3.222E+005 hours (1.342E+004 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.182 7.42 1000 Water 3.56 360 1000 Soil 31.6 720 1000 Sediment 64.7 3.24e+003 0 Persistence Time: 1.34e+003 hr
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