N-[4-(Diethylamino)-2-methylphenyl]butanamide
CCCC(=O)Nc1ccc(cc1C)N(CC)CC
InChI=1S/C15H24N2O/c1-5-8-15(18)16-14-10-9-13(11-12(14)4)17(6-2)7-3/h9-11H,5-8H2,1-4H3,(H,16,18)
FTUMGWLZHVHAJS-UHFFFAOYSA-N
CSID:731300, http://www.chemspider.com/Chemical-Structure.731300.html (accessed 12:02, Apr 20, 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) = 3.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 398.44 (Adapted Stein & Brown method) Melting Pt (deg C): 151.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.63E-007 (Modified Grain method) Subcooled liquid VP: 9.07E-006 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): 42.49 log Kow used: 3.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.445 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.36E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.561E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.23 (KowWin est) Log Kaw used: -7.862 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.092 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6889 Biowin2 (Non-Linear Model) : 0.6289 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2664 (weeks-months) Biowin4 (Primary Survey Model) : 3.3383 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2800 Biowin6 (MITI Non-Linear Model): 0.1039 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5995 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): 0.00121 Pa (9.07E-006 mm Hg) Log Koa (Koawin est ): 11.092 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00248 Octanol/air (Koa) model: 0.0303 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0822 Mackay model : 0.166 Octanol/air (Koa) model: 0.708 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 222.5145 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.577 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.124 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2337 Log Koc: 3.369 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 = 1.784 (BCF = 60.77) log Kow used: 3.23 (estimated) Volatilization from Water: Henry LC: 3.36E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.746E+006 hours (1.144E+005 days) Half-Life from Model Lake : 2.996E+007 hours (1.248E+006 days) Removal In Wastewater Treatment: Total removal: 8.20 percent Total biodegradation: 0.14 percent Total sludge adsorption: 8.05 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 0.00266 1.15 1000 Water 12.5 900 1000 Soil 87 1.8e+003 1000 Sediment 0.479 8.1e+003 0 Persistence Time: 1.75e+003 hr
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