4-[2-(Methylamino)ethyl]-1,2-phenylene diacetate
O=C(C)Oc1cc(ccc1OC(C)=O)CCNC
InChI=1S/C13H17NO4/c1-9(15)17-12-5-4-11(6-7-14-3)8-13(12)18-10(2)16/h4-5,8,14H,6-7H2,1-3H3
QUKVZTDUSNLYGC-UHFFFAOYSA-N
CSID:10440062, http://www.chemspider.com/Chemical-Structure.10440062.html (accessed 05:06, Apr 20, 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) = 1.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 323.59 (Adapted Stein & Brown method) Melting Pt (deg C): 30.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000491 (Modified Grain method) Subcooled liquid VP: 0.000553 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): 8758 log Kow used: 1.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18676 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 : 2.58E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.854E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.68 (KowWin est) Log Kaw used: -7.977 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.657 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1848 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8739 (weeks ) Biowin4 (Primary Survey Model) : 3.9179 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7049 Biowin6 (MITI Non-Linear Model): 0.6463 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7363 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): 0.0737 Pa (0.000553 mm Hg) Log Koa (Koawin est ): 9.657 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.07E-005 Octanol/air (Koa) model: 0.00111 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00147 Mackay model : 0.00324 Octanol/air (Koa) model: 0.0818 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 79.8523 E-12 cm3/molecule-sec Half-Life = 0.134 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.607 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00236 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 194.8 Log Koc: 2.290 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.206E+000 L/mol-sec Kb Half-Life at pH 8: 3.637 days Kb Half-Life at pH 7: 36.369 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.592 (BCF = 3.904) log Kow used: 1.68 (estimated) Volatilization from Water: Henry LC: 2.58E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.597E+006 hours (1.499E+005 days) Half-Life from Model Lake : 3.924E+007 hours (1.635E+006 days) Removal In Wastewater Treatment: Total removal: 2.04 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.94 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 0.00517 3.21 1000 Water 26.9 360 1000 Soil 73.1 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 666 hr
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