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4-Isopropylphenyl 4-biphenylcarboxylate
CC(C)c1ccc(cc1)OC(=O)c2ccc(cc2)c3ccccc3
InChI=1S/C22H20O2/c1-16(2)17-12-14-21(15-13-17)24-22(23)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,1-2H3
AJUCEQZWEDGYIP-UHFFFAOYSA-N
CSID:1286505, http://www.chemspider.com/Chemical-Structure.1286505.html (accessed 01:47, Jul 27, 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) = 6.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 434.47 (Adapted Stein & Brown method) Melting Pt (deg C): 158.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.08E-008 (Modified Grain method) Subcooled liquid VP: 1.19E-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): 0.04391 log Kow used: 6.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.01633 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.92E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.816E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.26 (KowWin est) Log Kaw used: -4.105 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.365 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9539 Biowin2 (Non-Linear Model) : 0.9931 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5873 (weeks-months) Biowin4 (Primary Survey Model) : 3.5566 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2125 Biowin6 (MITI Non-Linear Model): 0.0912 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2550 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): 0.000159 Pa (1.19E-006 mm Hg) Log Koa (Koawin est ): 10.365 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0189 Octanol/air (Koa) model: 0.00569 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.406 Mackay model : 0.602 Octanol/air (Koa) model: 0.313 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.1476 E-12 cm3/molecule-sec Half-Life = 0.881 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.566 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.504 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.154E+005 Log Koc: 5.499 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.525E-001 L/mol-sec Kb Half-Life at pH 8: 31.775 days Kb Half-Life at pH 7: 317.748 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.124 (BCF = 1.33e+004) log Kow used: 6.26 (estimated) Volatilization from Water: Henry LC: 1.92E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 544.2 hours (22.68 days) Half-Life from Model Lake : 6086 hours (253.6 days) Removal In Wastewater Treatment: Total removal: 92.99 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.22 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 0.198 21.1 1000 Water 3 900 1000 Soil 36.3 1.8e+003 1000 Sediment 60.5 8.1e+003 0 Persistence Time: 2.93e+003 hr
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