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2-(Dimethylamino)ethyl ethoxy(diphenyl)acetate
CCOC(c1ccccc1)(c2ccccc2)C(=O)OCCN(C)C
InChI=1S/C20H25NO3/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(22)23-16-15-21(2)3/h5-14H,4,15-16H2,1-3H3
RHUWRJWFHUKVED-UHFFFAOYSA-N
CSID:16137, http://www.chemspider.com/Chemical-Structure.16137.html (accessed 12:49, Apr 25, 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) = 3.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 401.39 (Adapted Stein & Brown method) Melting Pt (deg C): 145.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.65E-007 (Modified Grain method) Subcooled liquid VP: 7.69E-006 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): 194 log Kow used: 3.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 97.326 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 : 8.28E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.033E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.10 (KowWin est) Log Kaw used: -8.470 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.570 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2855 Biowin2 (Non-Linear Model) : 0.2077 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1842 (months ) Biowin4 (Primary Survey Model) : 3.1629 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2977 Biowin6 (MITI Non-Linear Model): 0.0773 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3371 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): 0.00103 Pa (7.69E-006 mm Hg) Log Koa (Koawin est ): 11.570 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00293 Octanol/air (Koa) model: 0.0912 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0956 Mackay model : 0.19 Octanol/air (Koa) model: 0.879 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 95.8167 E-12 cm3/molecule-sec Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.340 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.143 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7078 Log Koc: 3.850 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.552E-004 L/mol-sec Kb Half-Life at pH 8: 61.829 years Kb Half-Life at pH 7: 618.289 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.687 (BCF = 48.68) log Kow used: 3.10 (estimated) Volatilization from Water: Henry LC: 8.28E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.28E+007 hours (5.331E+005 days) Half-Life from Model Lake : 1.396E+008 hours (5.816E+006 days) Removal In Wastewater Treatment: Total removal: 6.64 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.50 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 0.000464 2.68 1000 Water 10.3 1.44e+003 1000 Soil 89.4 2.88e+003 1000 Sediment 0.328 1.3e+004 0 Persistence Time: 2.71e+003 hr
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