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4'-Methyl-4-biphenylyl (4-biphenylyloxy)acetate
Cc1ccc(cc1)c2ccc(cc2)OC(=O)COc3ccc(cc3)c4ccccc4
InChI=1S/C27H22O3/c1-20-7-9-22(10-8-20)24-13-17-26(18-14-24)30-27(28)19-29-25-15-11-23(12-16-25)21-5-3-2-4-6-21/h2-18H,19H2,1H3
WXMYFQRIESUMLK-UHFFFAOYSA-N
CSID:1273860, http://www.chemspider.com/Chemical-Structure.1273860.html (accessed 22:06, Jun 15, 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) = 6.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 540.15 (Adapted Stein & Brown method) Melting Pt (deg C): 227.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.77E-011 (Modified Grain method) Subcooled liquid VP: 2.61E-009 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): 0.004189 log Kow used: 6.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00018677 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.29E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.193E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.91 (KowWin est) Log Kaw used: -6.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.188 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0486 Biowin2 (Non-Linear Model) : 0.9978 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3567 (weeks-months) Biowin4 (Primary Survey Model) : 3.5210 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3081 Biowin6 (MITI Non-Linear Model): 0.0899 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5640 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): 3.48E-007 Pa (2.61E-009 mm Hg) Log Koa (Koawin est ): 13.188 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.62 Octanol/air (Koa) model: 3.78 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.997 Mackay model : 0.999 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.2924 E-12 cm3/molecule-sec Half-Life = 0.392 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.703 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.962E+006 Log Koc: 6.472 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.416E+001 L/mol-sec Kb Half-Life at pH 8: 4.360 hours Kb Half-Life at pH 7: 1.817 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.618 (BCF = 4.15e+004) log Kow used: 6.91 (estimated) Volatilization from Water: Henry LC: 1.29E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.014E+004 hours (3756 days) Half-Life from Model Lake : 9.836E+005 hours (4.098E+004 days) Removal In Wastewater Treatment: Total removal: 93.80 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.02 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 0.09 9.41 1000 Water 2.09 900 1000 Soil 33 1.8e+003 1000 Sediment 64.8 8.1e+003 0 Persistence Time: 3.25e+003 hr
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