Try beta.chemspider
Methyl 2',4',6,6'-tetramethoxy-3-biphenylcarboxylate
COc1ccc(cc1c2c(cc(cc2OC)OC)OC)C(=O)OC
InChI=1S/C18H20O6/c1-20-12-9-15(22-3)17(16(10-12)23-4)13-8-11(18(19)24-5)6-7-14(13)21-2/h6-10H,1-5H3
GCWWCXVSNMNLFQ-UHFFFAOYSA-N
CSID:740720, http://www.chemspider.com/Chemical-Structure.740720.html (accessed 18:34, Apr 25, 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) = 3.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 428.72 (Adapted Stein & Brown method) Melting Pt (deg C): 162.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.37E-008 (Modified Grain method) Subcooled liquid VP: 1.65E-006 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): 3.581 log Kow used: 3.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5774 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.26E-011 atm-m3/mole Group Method: 6.29E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.779E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.92 (KowWin est) Log Kaw used: -8.875 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.795 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2911 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3724 (weeks-months) Biowin4 (Primary Survey Model) : 3.9057 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8912 Biowin6 (MITI Non-Linear Model): 0.7967 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8450 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): 0.00022 Pa (1.65E-006 mm Hg) Log Koa (Koawin est ): 12.795 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0136 Octanol/air (Koa) model: 1.53 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.33 Mackay model : 0.522 Octanol/air (Koa) model: 0.992 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 203.5360 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.631 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.426 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.546E+004 Log Koc: 4.189 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.343E-002 L/mol-sec Kb Half-Life at pH 8: 150.135 days Kb Half-Life at pH 7: 4.110 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.315 (BCF = 206.6) log Kow used: 3.92 (estimated) Volatilization from Water: Henry LC: 6.29E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1699 hours (70.78 days) Half-Life from Model Lake : 1.869E+004 hours (778.6 days) Removal In Wastewater Treatment: Total removal: 26.57 percent Total biodegradation: 0.29 percent Total sludge adsorption: 26.25 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.053 1.26 1000 Water 17 900 1000 Soil 79.6 1.8e+003 1000 Sediment 3.33 8.1e+003 0 Persistence Time: 1.1e+003 hr
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