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N-{2-[(4-Methoxyphenyl)carbamoyl]phenyl}-4-biphenylcarboxamide
COc1ccc(cc1)NC(=O)c2ccccc2NC(=O)c3ccc(cc3)c4ccccc4
InChI=1S/C27H22N2O3/c1-32-23-17-15-22(16-18-23)28-27(31)24-9-5-6-10-25(24)29-26(30)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-18H,1H3,(H,28,31)(H,29,30)
TUWNAKVVSUWTCK-UHFFFAOYSA-N
CSID:1669081, http://www.chemspider.com/Chemical-Structure.1669081.html (accessed 21:51, Apr 28, 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) = 6.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 692.37 (Adapted Stein & Brown method) Melting Pt (deg C): 302.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.12E-016 (Modified Grain method) Subcooled liquid VP: 2.67E-013 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): 0.01191 log Kow used: 6.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00026731 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.99E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.895E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.17 (KowWin est) Log Kaw used: -13.090 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.260 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2267 Biowin2 (Non-Linear Model) : 0.9984 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1210 (months ) Biowin4 (Primary Survey Model) : 3.7311 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0438 Biowin6 (MITI Non-Linear Model): 0.0108 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6054 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): 3.56E-011 Pa (2.67E-013 mm Hg) Log Koa (Koawin est ): 19.260 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.43E+004 Octanol/air (Koa) model: 4.47E+006 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 = 29.8728 E-12 cm3/molecule-sec Half-Life = 0.358 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.297 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 : 1.309E+005 Log Koc: 5.117 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 = 4.052 (BCF = 1.127e+004) log Kow used: 6.17 (estimated) Volatilization from Water: Henry LC: 1.99E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.047E+011 hours (2.52E+010 days) Half-Life from Model Lake : 6.597E+012 hours (2.749E+011 days) Removal In Wastewater Treatment: Total removal: 92.76 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.99 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 0.0237 8.59 1000 Water 2.17 1.44e+003 1000 Soil 44.6 2.88e+003 1000 Sediment 53.2 1.3e+004 0 Persistence Time: 5e+003 hr
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