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1-(Dodecanoyloxy)-2,5-pyrrolidinedione
CCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)21-17-14(18)12-13-15(17)19/h2-13H2,1H3
LRKGVVJOUNKTGG-UHFFFAOYSA-N
CSID:2081192, http://www.chemspider.com/Chemical-Structure.2081192.html (accessed 01:06, 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) = 2.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 466.86 (Adapted Stein & Brown method) Melting Pt (deg C): 197.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.88E-009 (Modified Grain method) Subcooled liquid VP: 1.87E-007 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): 54.23 log Kow used: 2.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19.995 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.62E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.078E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.78 (KowWin est) Log Kaw used: -5.639 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.419 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7144 Biowin2 (Non-Linear Model) : 0.6523 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8403 (weeks ) Biowin4 (Primary Survey Model) : 3.6877 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3614 Biowin6 (MITI Non-Linear Model): 0.2188 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4587 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.49E-005 Pa (1.87E-007 mm Hg) Log Koa (Koawin est ): 8.419 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.12 Octanol/air (Koa) model: 6.44E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.813 Mackay model : 0.906 Octanol/air (Koa) model: 0.00513 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.4735 E-12 cm3/molecule-sec Half-Life = 0.340 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.078 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.859 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1572 Log Koc: 3.196 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.203E+003 L/mol-sec Kb Half-Life at pH 8: 3.606 minutes Kb Half-Life at pH 7: 36.062 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.437 (BCF = 27.35) log Kow used: 2.78 (estimated) Volatilization from Water: Henry LC: 5.62E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.797E+004 hours (748.7 days) Half-Life from Model Lake : 1.962E+005 hours (8173 days) Removal In Wastewater Treatment: Total removal: 4.20 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.09 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 0.494 8.16 1000 Water 22.9 360 1000 Soil 76.3 720 1000 Sediment 0.257 3.24e+003 0 Persistence Time: 533 hr
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