Tetracosanoic acid
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
QZZGJDVWLFXDLK-UHFFFAOYSA-N
CSID:10724, http://www.chemspider.com/Chemical-Structure.10724.html (accessed 00:46, Apr 20, 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) = 10.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 451.67 (Adapted Stein & Brown method) Melting Pt (deg C): 174.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.21E-007 (Modified Grain method) MP (exp database): 84.2 deg C Subcooled liquid VP: 4.47E-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): 5.928e-006 log Kow used: 10.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.2597e-006 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 : 2.79E-004 atm-m3/mole Group Method: 5.87E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.901E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.89 (KowWin est) Log Kaw used: -1.943 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.833 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7532 Biowin2 (Non-Linear Model) : 0.5648 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0474 (weeks ) Biowin4 (Primary Survey Model) : 3.9705 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8841 Biowin6 (MITI Non-Linear Model): 0.9232 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1973 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): 5.96E-005 Pa (4.47E-007 mm Hg) Log Koa (Koawin est ): 12.833 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0503 Octanol/air (Koa) model: 1.67 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.645 Mackay model : 0.801 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.9587 E-12 cm3/molecule-sec Half-Life = 0.345 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.146 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.723 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.594E+005 Log Koc: 5.662 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 = 0.500 (BCF = 3.162) log Kow used: 10.89 (estimated) Volatilization from Water: Henry LC: 0.000587 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.874 hours Half-Life from Model Lake : 203.3 hours (8.469 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.264 8.29 1000 Water 3.69 360 1000 Soil 28.8 720 1000 Sediment 67.2 3.24e+003 0 Persistence Time: 1.27e+003 hr
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