Try beta.chemspider
4'-Methyl-4-biphenylyl 2-iodobenzoate
Cc1ccc(cc1)c2ccc(cc2)OC(=O)c3ccccc3I
InChI=1S/C20H15IO2/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)23-20(22)18-4-2-3-5-19(18)21/h2-13H,1H3
HCXLAYZRUSSHGQ-UHFFFAOYSA-N
CSID:2513323, http://www.chemspider.com/Chemical-Structure.2513323.html (accessed 23:08, May 17, 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) = 6.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 467.21 (Adapted Stein & Brown method) Melting Pt (deg C): 179.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.57E-009 (Modified Grain method) Subcooled liquid VP: 1.83E-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): 0.006708 log Kow used: 6.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0037053 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.52E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.713E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.52 (KowWin est) Log Kaw used: -4.987 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.507 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0206 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3042 (weeks-months) Biowin4 (Primary Survey Model) : 3.2834 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4205 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5090 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): 2.44E-005 Pa (1.83E-007 mm Hg) Log Koa (Koawin est ): 11.507 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.123 Octanol/air (Koa) model: 0.0789 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.816 Mackay model : 0.908 Octanol/air (Koa) model: 0.863 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.9484 E-12 cm3/molecule-sec Half-Life = 1.346 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.148 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.862 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.71E+005 Log Koc: 5.233 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.965E-001 L/mol-sec Kb Half-Life at pH 8: 20.234 days Kb Half-Life at pH 7: 202.340 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.323 (BCF = 2.104e+004) log Kow used: 6.52 (estimated) Volatilization from Water: Henry LC: 2.52E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4731 hours (197.1 days) Half-Life from Model Lake : 5.178E+004 hours (2157 days) Removal In Wastewater Treatment: Total removal: 93.46 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.69 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 0.172 32.3 1000 Water 2.38 900 1000 Soil 37.2 1.8e+003 1000 Sediment 60.3 8.1e+003 0 Persistence Time: 3.3e+003 hr
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