2,2-Propanediylbis(4,1-phenyleneoxy-1,2-propanediyl) bis(2-methylacrylate)
CC(COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(C)OC(=O)C(=C)C)OC(=O)C(=C)C
InChI=1S/C29H36O6/c1-19(2)27(30)34-21(5)17-32-25-13-9-23(10-14-25)29(7,8)24-11-15-26(16-12-24)33-18-22(6)35-28(31)20(3)4/h9-16,21-22H,1,3,17-18H2,2,4-8H3
PPQQLTZAHODMPQ-UHFFFAOYSA-N
CSID:82336, http://www.chemspider.com/Chemical-Structure.82336.html (accessed 12:33, Sep 21, 2023)
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) = 7.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 493.94 (Adapted Stein & Brown method) Melting Pt (deg C): 168.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.3E-009 (Modified Grain method) Subcooled liquid VP: 3.91E-008 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): 0.0003995 log Kow used: 7.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00020356 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.56E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.058E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.47 (KowWin est) Log Kaw used: -8.837 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.307 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9470 Biowin2 (Non-Linear Model) : 0.9992 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0892 (months ) Biowin4 (Primary Survey Model) : 3.6131 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5183 Biowin6 (MITI Non-Linear Model): 0.1735 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6131 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): 5.21E-006 Pa (3.91E-008 mm Hg) Log Koa (Koawin est ): 16.307 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.575 Octanol/air (Koa) model: 4.98E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.954 Mackay model : 0.979 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.1678 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.165 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec Half-Life = 0.504 Days (at 7E11 mol/cm3) Half-Life = 12.090 Hrs Fraction sorbed to airborne particulates (phi): 0.966 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.733E+005 Log Koc: 5.437 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.831E-003 L/mol-sec Kb Half-Life at pH 8: 4.546 years Kb Half-Life at pH 7: 45.463 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.169 (BCF = 1.476e+004) log Kow used: 7.47 (estimated) Volatilization from Water: Henry LC: 3.56E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.605E+007 hours (1.502E+006 days) Half-Life from Model Lake : 3.933E+008 hours (1.639E+007 days) Removal In Wastewater Treatment: Total removal: 93.97 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.19 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 0.00193 1.95 1000 Water 1.22 1.44e+003 1000 Soil 41.2 2.88e+003 1000 Sediment 57.6 1.3e+004 0 Persistence Time: 6e+003 hr
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