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2-[2-(Diethylamino)ethoxy]-N-(2,6-dimethylphenyl)-2-phenylacetamide
CCN(CC)CCOC(c1ccccc1)C(=O)Nc2c(cccc2C)C
InChI=1S/C22H30N2O2/c1-5-24(6-2)15-16-26-21(19-13-8-7-9-14-19)22(25)23-20-17(3)11-10-12-18(20)4/h7-14,21H,5-6,15-16H2,1-4H3,(H,23,25)
ALOIIMNXGKZPCE-UHFFFAOYSA-N
CSID:48343, http://www.chemspider.com/Chemical-Structure.48343.html (accessed 23:11, Apr 25, 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) = 3.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 499.25 (Adapted Stein & Brown method) Melting Pt (deg C): 212.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.93E-010 (Modified Grain method) Subcooled liquid VP: 2.87E-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): 12.95 log Kow used: 3.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.264 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.83E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.055E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.11 (KowWin est) Log Kaw used: -11.623 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.733 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4737 Biowin2 (Non-Linear Model) : 0.1158 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9704 (months ) Biowin4 (Primary Survey Model) : 3.1118 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0382 Biowin6 (MITI Non-Linear Model): 0.0152 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3748 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): 3.83E-006 Pa (2.87E-008 mm Hg) Log Koa (Koawin est ): 14.733 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.784 Octanol/air (Koa) model: 133 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.966 Mackay model : 0.984 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 153.5485 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.836 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.975 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.196E+004 Log Koc: 4.078 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 = 1.692 (BCF = 49.16) log Kow used: 3.11 (estimated) Volatilization from Water: Henry LC: 5.83E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.891E+010 hours (7.878E+008 days) Half-Life from Model Lake : 2.063E+011 hours (8.595E+009 days) Removal In Wastewater Treatment: Total removal: 6.74 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.61 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 1.29e-005 1.67 1000 Water 10.2 1.44e+003 1000 Soil 89.4 2.88e+003 1000 Sediment 0.334 1.3e+004 0 Persistence Time: 2.72e+003 hr
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