Try beta.chemspider
- Charge
(1-Ethoxy-1-oxo-2-propanyl)oxonium
CCOC(=O)C(C)[OH2+]
InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/p+1
LZCLXQDLBQLTDK-UHFFFAOYSA-O
CSID:2976327, http://www.chemspider.com/Chemical-Structure.2976327.html (accessed 08:59, 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) = 0.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 89.97 (Adapted Stein & Brown method) Melting Pt (deg C): -72.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 57.4 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.378e+004 log Kow used: 0.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15594 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.055E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8650 Biowin2 (Non-Linear Model) : 0.9955 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0761 (weeks ) Biowin4 (Primary Survey Model) : 3.9048 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7010 Biowin6 (MITI Non-Linear Model): 0.8700 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7089 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): 7.35E+003 Pa (55.1 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.08E-010 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.47E-008 Mackay model : 3.27E-008 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.4304 E-12 cm3/molecule-sec Half-Life = 4.401 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 52.812 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.37E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 18.7 Log Koc: 1.272 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.371E-002 L/mol-sec Kb Half-Life at pH 8: 183.520 days Kb Half-Life at pH 7: 5.024 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.43 (estimated) Volatilization from Water: Henry LC: 0.000206 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 4.223 hours Half-Life from Model Lake : 137.6 hours (5.733 days) Removal In Wastewater Treatment: Total removal: 10.73 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.63 percent Total to Air: 9.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 18.1 106 1000 Water 46.3 360 1000 Soil 35.5 720 1000 Sediment 0.0869 3.24e+003 0 Persistence Time: 213 hr
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