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Methyl 2-hydroxytetracosanoate
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)O
InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(27)28-2/h24,26H,3-23H2,1-2H3
MSVLAXSCPVNLFM-UHFFFAOYSA-N
CSID:2820804, http://www.chemspider.com/Chemical-Structure.2820804.html (accessed 19:20, May 21, 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) = 9.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 451.32 (Adapted Stein & Brown method) Melting Pt (deg C): 168.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.85E-010 (Modified Grain method) Subcooled liquid VP: 5.56E-009 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): 5.923e-005 log Kow used: 9.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7876e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.39E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.638E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.64 (KowWin est) Log Kaw used: -0.245 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.885 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9991 Biowin2 (Non-Linear Model) : 0.9877 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9167 (weeks ) Biowin4 (Primary Survey Model) : 3.9000 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0188 Biowin6 (MITI Non-Linear Model): 0.9685 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0438 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): 7.41E-007 Pa (5.56E-009 mm Hg) Log Koa (Koawin est ): 9.885 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.05 Octanol/air (Koa) model: 0.00188 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 0.131 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.5237 E-12 cm3/molecule-sec Half-Life = 0.329 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.946 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.229E+005 Log Koc: 5.090 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.715E-001 L/mol-sec Kb Half-Life at pH 8: 14.037 days Kb Half-Life at pH 7: 140.373 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 9.64 (estimated) Volatilization from Water: Henry LC: 0.0139 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.122 hours Half-Life from Model Lake : 190.6 hours (7.94 days) Removal In Wastewater Treatment: Total removal: 94.04 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 0.196 7.89 1000 Water 3.56 360 1000 Soil 31.4 720 1000 Sediment 64.8 3.24e+003 0 Persistence Time: 1.33e+003 hr
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