Try beta.chemspider
N-[(4-Methoxyphenyl)(phenyl)methyl]-2,2-diphenylacetamide
COc1ccc(cc1)C(c2ccccc2)NC(=O)C(c3ccccc3)c4ccccc4
InChI=1S/C28H25NO2/c1-31-25-19-17-24(18-20-25)27(23-15-9-4-10-16-23)29-28(30)26(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-20,26-27H,1H3,(H,29,30)
LQEYPGPGZRPTDS-UHFFFAOYSA-N
CSID:2188556, http://www.chemspider.com/Chemical-Structure.2188556.html (accessed 03:30, Jul 6, 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) = 6.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 579.67 (Adapted Stein & Brown method) Melting Pt (deg C): 249.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.97E-013 (Modified Grain method) Subcooled liquid VP: 2.49E-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): 0.01805 log Kow used: 6.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0030969 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.17E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.665E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.07 (KowWin est) Log Kaw used: -11.598 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.668 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3345 Biowin2 (Non-Linear Model) : 0.9997 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1775 (months ) Biowin4 (Primary Survey Model) : 3.4885 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0413 Biowin6 (MITI Non-Linear Model): 0.0147 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8403 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): 3.32E-008 Pa (2.49E-010 mm Hg) Log Koa (Koawin est ): 17.668 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 90.4 Octanol/air (Koa) model: 1.14E+005 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 = 55.4938 E-12 cm3/molecule-sec Half-Life = 0.193 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.313 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 : 1.439E+007 Log Koc: 7.158 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 = 3.973 (BCF = 9398) log Kow used: 6.07 (estimated) Volatilization from Water: Henry LC: 6.17E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.916E+010 hours (7.982E+008 days) Half-Life from Model Lake : 2.09E+011 hours (8.707E+009 days) Removal In Wastewater Treatment: Total removal: 92.43 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.66 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 0.000926 4.62 1000 Water 2.25 1.44e+003 1000 Soil 49.1 2.88e+003 1000 Sediment 48.7 1.3e+004 0 Persistence Time: 5.3e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight