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4-(Dimethylamino)-N-(diphenylmethyl)benzamide
CN(C)c1ccc(cc1)C(=O)NC(c2ccccc2)c3ccccc3
InChI=1S/C22H22N2O/c1-24(2)20-15-13-19(14-16-20)22(25)23-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3,(H,23,25)
AREOYTABIWTLEZ-UHFFFAOYSA-N
CSID:688275, http://www.chemspider.com/Chemical-Structure.688275.html (accessed 22:07, Jun 15, 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) = 4.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 501.73 (Adapted Stein & Brown method) Melting Pt (deg C): 213.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.45E-010 (Modified Grain method) Subcooled liquid VP: 2.48E-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): 0.7507 log Kow used: 4.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.2454 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.04E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.419E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.72 (KowWin est) Log Kaw used: -10.686 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.406 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8513 Biowin2 (Non-Linear Model) : 0.9155 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2040 (months ) Biowin4 (Primary Survey Model) : 3.2982 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1230 Biowin6 (MITI Non-Linear Model): 0.0068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8324 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): 3.31E-006 Pa (2.48E-008 mm Hg) Log Koa (Koawin est ): 15.406 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.907 Octanol/air (Koa) model: 625 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.97 Mackay model : 0.986 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 215.9836 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.594 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.978 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.408E+004 Log Koc: 4.733 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 = 2.937 (BCF = 865.5) log Kow used: 4.72 (estimated) Volatilization from Water: Henry LC: 5.04E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.112E+009 hours (8.799E+007 days) Half-Life from Model Lake : 2.304E+010 hours (9.598E+008 days) Removal In Wastewater Treatment: Total removal: 66.90 percent Total biodegradation: 0.60 percent Total sludge adsorption: 66.29 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 0.000109 1.19 1000 Water 7.13 1.44e+003 1000 Soil 81.2 2.88e+003 1000 Sediment 11.7 1.3e+004 0 Persistence Time: 3.22e+003 hr
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