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(2-Nonyl-1,3-dioxolan-4-yl)methyl acetate
CCCCCCCCCC1OCC(O1)COC(=O)C
InChI=1S/C15H28O4/c1-3-4-5-6-7-8-9-10-15-18-12-14(19-15)11-17-13(2)16/h14-15H,3-12H2,1-2H3
DEBZHLHXSAVVNB-UHFFFAOYSA-N
CSID:207757, http://www.chemspider.com/Chemical-Structure.207757.html (accessed 05:51, Apr 30, 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) = 4.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 332.23 (Adapted Stein & Brown method) Melting Pt (deg C): 84.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.44E-005 (Modified Grain method) Subcooled liquid VP: 0.000347 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.831 log Kow used: 4.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.855 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.03E-007 atm-m3/mole Group Method: 7.92E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.953E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.00 (KowWin est) Log Kaw used: -4.433 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.433 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2058 Biowin2 (Non-Linear Model) : 0.1425 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0184 (weeks ) Biowin4 (Primary Survey Model) : 3.9333 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7386 Biowin6 (MITI Non-Linear Model): 0.6848 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2094 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): 0.0463 Pa (0.000347 mm Hg) Log Koa (Koawin est ): 8.433 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.48E-005 Octanol/air (Koa) model: 6.65E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00234 Mackay model : 0.00516 Octanol/air (Koa) model: 0.00529 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.6205 E-12 cm3/molecule-sec Half-Life = 0.309 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.707 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00375 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.77 Log Koc: 1.688 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.632E-001 L/mol-sec Kb Half-Life at pH 8: 30.478 days Kb Half-Life at pH 7: 304.777 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.378 (BCF = 238.7) log Kow used: 4.00 (estimated) Volatilization from Water: Henry LC: 9.03E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1072 hours (44.66 days) Half-Life from Model Lake : 1.183E+004 hours (492.9 days) Removal In Wastewater Treatment: Total removal: 30.09 percent Total biodegradation: 0.32 percent Total sludge adsorption: 29.74 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.644 7.41 1000 Water 23.4 360 1000 Soil 73 720 1000 Sediment 2.98 3.24e+003 0 Persistence Time: 485 hr
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