Try beta.chemspider
N-(6-Methoxy-3-pyridinyl)-2,2-diphenylacetamide
COc1ccc(cn1)NC(=O)C(c2ccccc2)c3ccccc3
InChI=1S/C20H18N2O2/c1-24-18-13-12-17(14-21-18)22-20(23)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,19H,1H3,(H,22,23)
IOUHFBVSLABJBZ-UHFFFAOYSA-N
CSID:1240259, http://www.chemspider.com/Chemical-Structure.1240259.html (accessed 01:06, May 19, 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) = 4.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 496.34 (Adapted Stein & Brown method) Melting Pt (deg C): 210.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.6E-010 (Modified Grain method) Subcooled liquid VP: 3.4E-008 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): 1.846 log Kow used: 4.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 34.048 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.84E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.170E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.35 (KowWin est) Log Kaw used: -11.935 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.285 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0943 Biowin2 (Non-Linear Model) : 0.9974 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1383 (months ) Biowin4 (Primary Survey Model) : 3.5935 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1508 Biowin6 (MITI Non-Linear Model): 0.0442 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1221 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): 4.53E-006 Pa (3.4E-008 mm Hg) Log Koa (Koawin est ): 16.285 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.662 Octanol/air (Koa) model: 4.73E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.96 Mackay model : 0.981 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.6711 E-12 cm3/molecule-sec Half-Life = 0.782 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.389 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.971 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.5E+004 Log Koc: 4.653 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 = 2.649 (BCF = 446.1) log Kow used: 4.35 (estimated) Volatilization from Water: Henry LC: 2.84E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.678E+010 hours (1.533E+009 days) Half-Life from Model Lake : 4.013E+011 hours (1.672E+010 days) Removal In Wastewater Treatment: Total removal: 47.97 percent Total biodegradation: 0.46 percent Total sludge adsorption: 47.51 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 4.77e-006 18.8 1000 Water 7.97 1.44e+003 1000 Soil 86.5 2.88e+003 1000 Sediment 5.54 1.3e+004 0 Persistence Time: 3.03e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight