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3-Methoxybutyl 3-ethoxypropanoate
CCOCCC(=O)OCCC(C)OC
InChI=1S/C10H20O4/c1-4-13-7-6-10(11)14-8-5-9(2)12-3/h9H,4-8H2,1-3H3
RSTAAVAGFMHTMS-UHFFFAOYSA-N
CSID:196360, http://www.chemspider.com/Chemical-Structure.196360.html (accessed 07:10, Apr 26, 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) = 1.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 238.36 (Adapted Stein & Brown method) Melting Pt (deg C): 13.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0505 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3748 log Kow used: 1.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 32131 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.91E-008 atm-m3/mole Group Method: 2.50E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.621E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.22 (KowWin est) Log Kaw used: -5.392 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.612 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1298 Biowin2 (Non-Linear Model) : 0.0647 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8706 (weeks ) Biowin4 (Primary Survey Model) : 3.7625 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6488 Biowin6 (MITI Non-Linear Model): 0.7244 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2188 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): 6.43 Pa (0.0482 mm Hg) Log Koa (Koawin est ): 6.612 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.67E-007 Octanol/air (Koa) model: 1E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.69E-005 Mackay model : 3.73E-005 Octanol/air (Koa) model: 8.04E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.9985 E-12 cm3/molecule-sec Half-Life = 0.324 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.890 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.71E-005 (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 : 6.621E-002 L/mol-sec Kb Half-Life at pH 8: 121.166 days Kb Half-Life at pH 7: 3.317 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.243 (BCF = 1.748) log Kow used: 1.22 (estimated) Volatilization from Water: Henry LC: 2.5E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.347E+005 hours (1.395E+004 days) Half-Life from Model Lake : 3.652E+006 hours (1.521E+005 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.82 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 0.0515 7.78 1000 Water 33 360 1000 Soil 66.9 720 1000 Sediment 0.0698 3.24e+003 0 Persistence Time: 602 hr
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