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N-(Diphenylmethyl)-N~2~-(2-fluorobenzyl)-N~2~-methylglycinamide
CN(Cc1ccccc1F)CC(=O)NC(c2ccccc2)c3ccccc3
InChI=1S/C23H23FN2O/c1-26(16-20-14-8-9-15-21(20)24)17-22(27)25-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16-17H2,1H3,(H,25,27)
TWVVVCAQVJAERH-UHFFFAOYSA-N
CSID:3972800, http://www.chemspider.com/Chemical-Structure.3972800.html (accessed 18:56, May 21, 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) = 4.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 510.67 (Adapted Stein & Brown method) Melting Pt (deg C): 217.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.3E-010 (Modified Grain method) Subcooled liquid VP: 1.47E-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): 1.458 log Kow used: 4.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.544 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.49E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.252E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.16 (KowWin est) Log Kaw used: -11.215 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.375 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0261 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7263 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2655 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2075 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7341 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): 1.96E-006 Pa (1.47E-008 mm Hg) Log Koa (Koawin est ): 15.375 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.53 Octanol/air (Koa) model: 582 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.982 Mackay model : 0.992 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 108.1472 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.187 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.987 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.983E+006 Log Koc: 6.297 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 = 2.503 (BCF = 318.7) log Kow used: 4.16 (estimated) Volatilization from Water: Henry LC: 1.49E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.481E+009 hours (3.117E+008 days) Half-Life from Model Lake : 8.161E+010 hours (3.4E+009 days) Removal In Wastewater Treatment: Total removal: 37.86 percent Total biodegradation: 0.38 percent Total sludge adsorption: 37.48 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 2.15e-005 2.37 1000 Water 3.9 4.32e+003 1000 Soil 93.6 8.64e+003 1000 Sediment 2.54 3.89e+004 0 Persistence Time: 8.24e+003 hr
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