Try beta.chemspider
Methyl dimethoxyacetate
COC(C(=O)OC)OC
InChI=1S/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3
NZTCVGHPDWAALP-UHFFFAOYSA-N
CSID:60014, http://www.chemspider.com/Chemical-Structure.60014.html (accessed 15:16, 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) = -0.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 136.63 (Adapted Stein & Brown method) Melting Pt (deg C): -44.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.41 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.703e+005 log Kow used: -0.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.52E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.532E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.73 (KowWin est) Log Kaw used: -4.458 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.728 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1631 Biowin2 (Non-Linear Model) : 0.1577 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0256 (weeks ) Biowin4 (Primary Survey Model) : 3.8637 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6103 Biowin6 (MITI Non-Linear Model): 0.6993 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0889 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): 911 Pa (6.83 mm Hg) Log Koa (Koawin est ): 3.728 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.29E-009 Octanol/air (Koa) model: 1.31E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.19E-007 Mackay model : 2.64E-007 Octanol/air (Koa) model: 1.05E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.0779 E-12 cm3/molecule-sec Half-Life = 2.623 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 31.475 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.91E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.266E-001 L/mol-sec Kb Half-Life at pH 8: 63.341 days Kb Half-Life at pH 7: 1.734 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.73 (estimated) Volatilization from Water: Henry LC: 8.52E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 797 hours (33.21 days) Half-Life from Model Lake : 8792 hours (366.3 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.93 63 1000 Water 45.3 360 1000 Soil 50.6 720 1000 Sediment 0.0831 3.24e+003 0 Persistence Time: 379 hr
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