1,3-Benzodioxol-5-yl 4-biphenylcarboxylate
c1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc4c(c3)OCO4
InChI=1S/C20H14O4/c21-20(24-17-10-11-18-19(12-17)23-13-22-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2
XTYRDMZUCRUKEW-UHFFFAOYSA-N
CSID:2199703, http://www.chemspider.com/Chemical-Structure.2199703.html (accessed 04:14, Apr 19, 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) = 4.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 453.07 (Adapted Stein & Brown method) Melting Pt (deg C): 176.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.12E-008 (Modified Grain method) Subcooled liquid VP: 4.12E-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): 0.6634 log Kow used: 4.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.031778 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.15E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.071E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.87 (KowWin est) Log Kaw used: -7.328 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.198 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1621 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5417 (weeks-months) Biowin4 (Primary Survey Model) : 3.7766 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6176 Biowin6 (MITI Non-Linear Model): 0.5264 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3170 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): 5.49E-005 Pa (4.12E-007 mm Hg) Log Koa (Koawin est ): 12.198 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0546 Octanol/air (Koa) model: 0.387 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.664 Mackay model : 0.814 Octanol/air (Koa) model: 0.969 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.8471 E-12 cm3/molecule-sec Half-Life = 0.384 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.609 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.739 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.99E+004 Log Koc: 4.299 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.652E-001 L/mol-sec Kb Half-Life at pH 8: 14.193 days Kb Half-Life at pH 7: 141.933 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.051 (BCF = 1123) log Kow used: 4.87 (estimated) Volatilization from Water: Henry LC: 1.15E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.084E+005 hours (3.785E+004 days) Half-Life from Model Lake : 9.909E+006 hours (4.129E+005 days) Removal In Wastewater Treatment: Total removal: 73.16 percent Total biodegradation: 0.65 percent Total sludge adsorption: 72.52 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 0.0231 9.22 1000 Water 9.05 900 1000 Soil 75.3 1.8e+003 1000 Sediment 15.6 8.1e+003 0 Persistence Time: 2.06e+003 hr
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