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2-Methoxypentacosanoic acid
O=C(O)C(OC)CCCCCCCCCCCCCCCCCCCCCCC
InChI=1S/C26H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(29-2)26(27)28/h25H,3-24H2,1-2H3,(H,27,28)
ZSCKQKXNKBBCKS-UHFFFAOYSA-N
CSID:8652209, http://www.chemspider.com/Chemical-Structure.8652209.html (accessed 23:19, Apr 25, 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) = 10.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 479.93 (Adapted Stein & Brown method) Melting Pt (deg C): 188.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.7E-009 (Modified Grain method) Subcooled liquid VP: 8.79E-008 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): 6.286e-006 log Kow used: 10.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.1615e-005 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 : 3.07E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.469E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.54 (KowWin est) Log Kaw used: -2.901 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.441 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3848 Biowin2 (Non-Linear Model) : 0.0220 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9414 (weeks ) Biowin4 (Primary Survey Model) : 3.8972 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7043 Biowin6 (MITI Non-Linear Model): 0.7363 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6947 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): 1.17E-005 Pa (8.79E-008 mm Hg) Log Koa (Koawin est ): 13.441 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.256 Octanol/air (Koa) model: 6.78 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.902 Mackay model : 0.953 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.2566 E-12 cm3/molecule-sec Half-Life = 0.247 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.967 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.928 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.473E+005 Log Koc: 5.168 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: 10.54 (estimated) Volatilization from Water: Henry LC: 3.07E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 40.82 hours (1.701 days) Half-Life from Model Lake : 615.6 hours (25.65 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 0.164 5.94 1000 Water 3.6 360 1000 Soil 30.7 720 1000 Sediment 65.6 3.24e+003 0 Persistence Time: 1.31e+003 hr
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