2-Methyl-2-propanyl {[3-(2-ethoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
CCOc1ccccc1Oc2c(oc3cc(ccc3c2=O)OCC(=O)OC(C)(C)C)C
InChI=1S/C24H26O7/c1-6-27-18-9-7-8-10-19(18)30-23-15(2)29-20-13-16(11-12-17(20)22(23)26)28-14-21(25)31-24(3,4)5/h7-13H,6,14H2,1-5H3
SXYSBOVNFUEXEI-UHFFFAOYSA-N
CSID:1521738, http://www.chemspider.com/Chemical-Structure.1521738.html (accessed 19:35, Mar 28, 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) = 3.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 509.61 (Adapted Stein & Brown method) Melting Pt (deg C): 217.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.4E-010 (Modified Grain method) Subcooled liquid VP: 1.57E-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): 0.9238 log Kow used: 3.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.1735 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Vinyl/Allyl Ketones Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.95E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.504E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.93 (KowWin est) Log Kaw used: -7.919 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.849 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1107 Biowin2 (Non-Linear Model) : 0.0291 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0288 (months ) Biowin4 (Primary Survey Model) : 3.4205 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5182 Biowin6 (MITI Non-Linear Model): 0.1039 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8248 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): 2.09E-006 Pa (1.57E-008 mm Hg) Log Koa (Koawin est ): 11.849 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.43 Octanol/air (Koa) model: 0.173 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.981 Mackay model : 0.991 Octanol/air (Koa) model: 0.933 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 271.9524 E-12 cm3/molecule-sec Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.318 Min Ozone Reaction: OVERALL Ozone Rate Constant = 9.912499 E-17 cm3/molecule-sec Half-Life = 0.116 Days (at 7E11 mol/cm3) Half-Life = 2.775 Hrs Fraction sorbed to airborne particulates (phi): 0.986 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 68.83 Log Koc: 1.838 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 8.213E-001 L/mol-sec Kb Half-Life at pH 8: 9.767 days Kb Half-Life at pH 7: 97.675 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.326 (BCF = 211.6) log Kow used: 3.93 (estimated) Volatilization from Water: Henry LC: 2.95E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.099E+006 hours (1.708E+005 days) Half-Life from Model Lake : 4.471E+007 hours (1.863E+006 days) Removal In Wastewater Treatment: Total removal: 26.97 percent Total biodegradation: 0.30 percent Total sludge adsorption: 26.68 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 0.0165 0.704 1000 Water 12.7 1.44e+003 1000 Soil 84.1 2.88e+003 1000 Sediment 3.2 1.3e+004 0 Persistence Time: 1.8e+003 hr
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