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Ethyl 2,5,8,11-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraoxatetradecan-1-oate
CCOC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C
InChI=1S/C16H24O10/c1-7-22-13(18)8(2)24-15(20)10(4)26-16(21)11(5)25-14(19)9(3)23-12(6)17/h8-11H,7H2,1-6H3
YDQFEYZKJCQJIE-UHFFFAOYSA-N
CSID:194562, http://www.chemspider.com/Chemical-Structure.194562.html (accessed 12:31, Apr 24, 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) = 0.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.12 (Adapted Stein & Brown method) Melting Pt (deg C): 32.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.98E-005 (Modified Grain method) Subcooled liquid VP: 3.51E-005 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): 1088 log Kow used: 0.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13330 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.83E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.356E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.70 (KowWin est) Log Kaw used: -8.623 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.323 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.4393 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0685 (weeks ) Biowin4 (Primary Survey Model) : 4.4495 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.1603 Biowin6 (MITI Non-Linear Model): 0.9827 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5805 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): 0.00468 Pa (3.51E-005 mm Hg) Log Koa (Koawin est ): 9.323 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000641 Octanol/air (Koa) model: 0.000516 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0226 Mackay model : 0.0488 Octanol/air (Koa) model: 0.0397 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.2219 E-12 cm3/molecule-sec Half-Life = 1.719 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.629 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0357 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.398E+004 Log Koc: 4.380 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.802E-001 L/mol-sec Kb Half-Life at pH 8: 16.707 days Kb Half-Life at pH 7: 167.066 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.70 (estimated) Volatilization from Water: Henry LC: 5.83E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.948E+007 hours (8.118E+005 days) Half-Life from Model Lake : 2.125E+008 hours (8.856E+006 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.00137 41.3 1000 Water 36.6 360 1000 Soil 63.4 720 1000 Sediment 0.0701 3.24e+003 0 Persistence Time: 595 hr
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