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Ethyl methyl malonate
CCOC(=O)CC(=O)OC
InChI=1S/C6H10O4/c1-3-10-6(8)4-5(7)9-2/h3-4H2,1-2H3
LIRDIZPKBSSVBK-UHFFFAOYSA-N
CSID:245163, http://www.chemspider.com/Chemical-Structure.245163.html (accessed 10:31, Jun 14, 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) = 0.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 144.16 (Adapted Stein & Brown method) Melting Pt (deg C): -95.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.25 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.558e+004 log Kow used: 0.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 70618 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.54E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.837E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.40 (KowWin est) Log Kaw used: -4.645 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.045 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0263 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1566 (weeks ) Biowin4 (Primary Survey Model) : 4.0948 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0645 Biowin6 (MITI Non-Linear Model): 0.9836 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0726 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): 643 Pa (4.82 mm Hg) Log Koa (Koawin est ): 5.045 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.67E-009 Octanol/air (Koa) model: 2.72E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.69E-007 Mackay model : 3.73E-007 Octanol/air (Koa) model: 2.18E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.9690 E-12 cm3/molecule-sec Half-Life = 5.432 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 65.185 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.71E-007 (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 : 4.360E+000 L/mol-sec Kb Half-Life at pH 8: 1.840 days Kb Half-Life at pH 7: 18.397 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.40 (estimated) Volatilization from Water: Henry LC: 5.54E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1279 hours (53.28 days) Half-Life from Model Lake : 1.405E+004 hours (585.5 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.3 130 1000 Water 42.8 360 1000 Soil 52.8 720 1000 Sediment 0.0801 3.24e+003 0 Persistence Time: 413 hr
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