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Bis[2-(dimethylamino)ethyl] sebacate
CN(C)CCOC(=O)CCCCCCCCC(=O)OCCN(C)C
InChI=1S/C18H36N2O4/c1-19(2)13-15-23-17(21)11-9-7-5-6-8-10-12-18(22)24-16-14-20(3)4/h5-16H2,1-4H3
KNXLZXZQJJQVMS-UHFFFAOYSA-N
CSID:2956590, http://www.chemspider.com/Chemical-Structure.2956590.html (accessed 13:48, 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) = 2.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 369.34 (Adapted Stein & Brown method) Melting Pt (deg C): 49.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.72E-005 (Modified Grain method) Subcooled liquid VP: 4.57E-005 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): 307.8 log Kow used: 2.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1371.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.31E-012 atm-m3/mole Group Method: 1.23E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.006E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.75 (KowWin est) Log Kaw used: -10.271 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.021 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5214 Biowin2 (Non-Linear Model) : 0.8618 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2087 (months ) Biowin4 (Primary Survey Model) : 3.2326 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7997 Biowin6 (MITI Non-Linear Model): 0.7360 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9763 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): 0.00609 Pa (4.57E-005 mm Hg) Log Koa (Koawin est ): 13.021 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000492 Octanol/air (Koa) model: 2.58 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0175 Mackay model : 0.0379 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 171.2940 E-12 cm3/molecule-sec Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.749 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0277 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2134 Log Koc: 3.329 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.550E-002 L/mol-sec Kb Half-Life at pH 8: 106.256 days Kb Half-Life at pH 7: 2.909 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.414 (BCF = 25.96) log Kow used: 2.75 (estimated) Volatilization from Water: Henry LC: 1.23E-013 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.835E+009 hours (3.681E+008 days) Half-Life from Model Lake : 9.638E+010 hours (4.016E+009 days) Removal In Wastewater Treatment: Total removal: 4.05 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.94 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 6.71e-007 1.5 1000 Water 12.2 1.44e+003 1000 Soil 87.6 2.88e+003 1000 Sediment 0.174 1.3e+004 0 Persistence Time: 2.55e+003 hr
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