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Bis(2-butoxyethyl) tartarate
CCCCOCCOC(=O)C(C(C(=O)OCCOCCCC)O)O
InChI=1S/C16H30O8/c1-3-5-7-21-9-11-23-15(19)13(17)14(18)16(20)24-12-10-22-8-6-4-2/h13-14,17-18H,3-12H2,1-2H3
KHZAYFQWLPYBQV-UHFFFAOYSA-N
CSID:219438, http://www.chemspider.com/Chemical-Structure.219438.html (accessed 04:02, 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) = 1.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 413.11 (Adapted Stein & Brown method) Melting Pt (deg C): 97.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.11E-009 (Modified Grain method) Subcooled liquid VP: 3.1E-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): 448.4 log Kow used: 1.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2383e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Surfactants-nonionic Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.78E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.283E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.33 (KowWin est) Log Kaw used: -6.138 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.468 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7687 Biowin2 (Non-Linear Model) : 0.9948 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.6045 (days-weeks ) Biowin4 (Primary Survey Model) : 4.5777 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0760 Biowin6 (MITI Non-Linear Model): 0.9620 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0644 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): 4.13E-006 Pa (3.1E-008 mm Hg) Log Koa (Koawin est ): 7.468 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.726 Octanol/air (Koa) model: 7.21E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.963 Mackay model : 0.983 Octanol/air (Koa) model: 0.000577 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 47.8394 E-12 cm3/molecule-sec Half-Life = 0.224 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.683 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.973 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.928E+000 L/mol-sec Kb Half-Life at pH 8: 2.740 days Kb Half-Life at pH 7: 27.400 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.326 (BCF = 2.118) log Kow used: 1.33 (estimated) Volatilization from Water: Henry LC: 1.78E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.157E+004 hours (2566 days) Half-Life from Model Lake : 6.719E+005 hours (2.799E+004 days) Removal In Wastewater Treatment: Total removal: 1.93 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 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 0.695 5.37 1000 Water 35.2 208 1000 Soil 64.1 416 1000 Sediment 0.0724 1.87e+003 0 Persistence Time: 281 hr
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