Try beta.chemspider
Methyl 4'-methyl-2-biphenylcarboxylate
Cc1ccc(cc1)c2ccccc2C(=O)OC
InChI=1S/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3
IHNIAWHITVGYJJ-UHFFFAOYSA-N
CSID:1163270, http://www.chemspider.com/Chemical-Structure.1163270.html (accessed 21:27, Jul 22, 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) = 4.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 345.71 (Adapted Stein & Brown method) Melting Pt (deg C): 97.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.34E-005 (Modified Grain method) Subcooled liquid VP: 0.000167 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): 9.294 log Kow used: 4.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.5339 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.94E-006 atm-m3/mole Group Method: 1.54E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.070E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.14 (KowWin est) Log Kaw used: -3.920 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.060 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8687 Biowin2 (Non-Linear Model) : 0.9885 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7645 (weeks ) Biowin4 (Primary Survey Model) : 3.6817 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4903 Biowin6 (MITI Non-Linear Model): 0.4322 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2068 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): 0.0223 Pa (0.000167 mm Hg) Log Koa (Koawin est ): 8.060 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000135 Octanol/air (Koa) model: 2.82E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00484 Mackay model : 0.0107 Octanol/air (Koa) model: 0.00225 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.5943 E-12 cm3/molecule-sec Half-Life = 1.912 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.943 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00775 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4842 Log Koc: 3.685 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.998E-002 L/mol-sec Kb Half-Life at pH 8: 200.670 days Kb Half-Life at pH 7: 5.494 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.487 (BCF = 307.2) log Kow used: 4.14 (estimated) Volatilization from Water: Henry LC: 1.54E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 573.4 hours (23.89 days) Half-Life from Model Lake : 6382 hours (265.9 days) Removal In Wastewater Treatment: Total removal: 36.88 percent Total biodegradation: 0.37 percent Total sludge adsorption: 36.45 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.37 45.9 1000 Water 22.3 360 1000 Soil 71.4 720 1000 Sediment 3.86 3.24e+003 0 Persistence Time: 514 hr
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