1-(3-Methoxypropoxy)propyl acetate
CCC(OCCCOC)OC(=O)C
InChI=1S/C9H18O4/c1-4-9(13-8(2)10)12-7-5-6-11-3/h9H,4-7H2,1-3H3
USDXBNSCKZJDLC-UHFFFAOYSA-N
CSID:2299699, http://www.chemspider.com/Chemical-Structure.2299699.html (accessed 10:37, Apr 19, 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): 219.82 (Adapted Stein & Brown method) Melting Pt (deg C): 2.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.132 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.16e+004 log Kow used: 0.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0305e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.46E-008 atm-m3/mole Group Method: 5.48E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.848E-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: -5.516 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.246 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1364 Biowin2 (Non-Linear Model) : 0.0778 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9016 (weeks ) Biowin4 (Primary Survey Model) : 3.7827 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6411 Biowin6 (MITI Non-Linear Model): 0.7195 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1928 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): 16.4 Pa (0.123 mm Hg) Log Koa (Koawin est ): 6.246 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.83E-007 Octanol/air (Koa) model: 4.33E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.61E-006 Mackay model : 1.46E-005 Octanol/air (Koa) model: 3.46E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.4542 E-12 cm3/molecule-sec Half-Life = 0.258 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.096 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.06E-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 : 1.079E+000 L/mol-sec Kb Half-Life at pH 8: 7.433 days Kb Half-Life at pH 7: 74.333 days 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: 5.48E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.474E+004 hours (614.1 days) Half-Life from Model Lake : 1.609E+005 hours (6704 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 0.496 6.19 1000 Water 41.9 360 1000 Soil 57.5 720 1000 Sediment 0.0806 3.24e+003 0 Persistence Time: 419 hr
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