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N-(2-Phenoxyphenyl)-4-biphenylcarboxamide
c1ccc(cc1)c2ccc(cc2)C(=O)Nc3ccccc3Oc4ccccc4
InChI=1S/C25H19NO2/c27-25(21-17-15-20(16-18-21)19-9-3-1-4-10-19)26-23-13-7-8-14-24(23)28-22-11-5-2-6-12-22/h1-18H,(H,26,27)
PVWHTHLIGVLUGU-UHFFFAOYSA-N
CSID:2722483, http://www.chemspider.com/Chemical-Structure.2722483.html (accessed 21:01, Jul 5, 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) = 5.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 572.93 (Adapted Stein & Brown method) Melting Pt (deg C): 246.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.47E-012 (Modified Grain method) Subcooled liquid VP: 3.73E-010 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): 0.213 log Kow used: 5.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0021139 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.05E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.318E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.12 (KowWin est) Log Kaw used: -10.077 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.197 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1718 Biowin2 (Non-Linear Model) : 0.9983 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3233 (weeks-months) Biowin4 (Primary Survey Model) : 3.6128 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0948 Biowin6 (MITI Non-Linear Model): 0.0253 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8352 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): 4.97E-008 Pa (3.73E-010 mm Hg) Log Koa (Koawin est ): 15.197 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 60.3 Octanol/air (Koa) model: 386 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.8121 E-12 cm3/molecule-sec Half-Life = 0.449 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.390 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.173E+005 Log Koc: 5.337 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.240 (BCF = 1739) log Kow used: 5.12 (estimated) Volatilization from Water: Henry LC: 2.05E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.46E+008 hours (2.275E+007 days) Half-Life from Model Lake : 5.956E+009 hours (2.482E+008 days) Removal In Wastewater Treatment: Total removal: 81.16 percent Total biodegradation: 0.70 percent Total sludge adsorption: 80.46 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 0.0374 10.8 1000 Water 7.92 900 1000 Soil 68.6 1.8e+003 1000 Sediment 23.4 8.1e+003 0 Persistence Time: 2.19e+003 hr
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