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2-(2-phenoxycarbonyloxyethoxy)ethyl phenyl carbonate
c1ccc(cc1)OC(=O)OCCOCCOC(=O)Oc2ccccc2
InChI=1S/C18H18O7/c19-17(24-15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)25-16-9-5-2-6-10-16/h1-10H,11-14H2
RWYCYIXEAKOSHP-UHFFFAOYSA-N
CSID:220187, http://www.chemspider.com/Chemical-Structure.220187.html (accessed 07:41, May 9, 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) = 2.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 463.46 (Adapted Stein & Brown method) Melting Pt (deg C): 156.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.02E-008 (Modified Grain method) Subcooled liquid VP: 2.27E-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): 72.93 log Kow used: 2.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16.319 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.47E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.374E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.28 (KowWin est) Log Kaw used: -6.221 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.501 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4915 Biowin2 (Non-Linear Model) : 0.1492 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4692 (weeks-months) Biowin4 (Primary Survey Model) : 3.3481 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0369 Biowin6 (MITI Non-Linear Model): 0.0094 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1649 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): 3.03E-005 Pa (2.27E-007 mm Hg) Log Koa (Koawin est ): 8.501 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0991 Octanol/air (Koa) model: 7.78E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.782 Mackay model : 0.888 Octanol/air (Koa) model: 0.00619 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.7137 E-12 cm3/molecule-sec Half-Life = 0.493 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.911 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.835 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2923 Log Koc: 3.466 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.059 (BCF = 11.46) log Kow used: 2.28 (estimated) Volatilization from Water: Henry LC: 1.47E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.412E+004 hours (3089 days) Half-Life from Model Lake : 8.088E+005 hours (3.37E+004 days) Removal In Wastewater Treatment: Total removal: 2.60 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.51 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 0.228 11.8 1000 Water 21.6 900 1000 Soil 78.1 1.8e+003 1000 Sediment 0.122 8.1e+003 0 Persistence Time: 1.19e+003 hr
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