N,N-Dibutyl-4-(butyrylamino)benzamide
CCCCN(CCCC)C(=O)c1ccc(cc1)NC(=O)CCC
InChI=1S/C19H30N2O2/c1-4-7-14-21(15-8-5-2)19(23)16-10-12-17(13-11-16)20-18(22)9-6-3/h10-13H,4-9,14-15H2,1-3H3,(H,20,22)
SRKGTBVCNHQRRN-UHFFFAOYSA-N
CSID:3508235, http://www.chemspider.com/Chemical-Structure.3508235.html (accessed 03:27, 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) = 3.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 489.30 (Adapted Stein & Brown method) Melting Pt (deg C): 207.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.93E-010 (Modified Grain method) Subcooled liquid VP: 5.11E-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): 5.838 log Kow used: 3.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.866 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.87E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.256E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.76 (KowWin est) Log Kaw used: -8.117 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.877 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2331 Biowin2 (Non-Linear Model) : 0.9995 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9837 (weeks ) Biowin4 (Primary Survey Model) : 4.3373 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4474 Biowin6 (MITI Non-Linear Model): 0.2847 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3476 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): 6.81E-006 Pa (5.11E-008 mm Hg) Log Koa (Koawin est ): 11.877 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.44 Octanol/air (Koa) model: 0.185 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.941 Mackay model : 0.972 Octanol/air (Koa) model: 0.937 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.8689 E-12 cm3/molecule-sec Half-Life = 0.233 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.798 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.957 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3147 Log Koc: 3.498 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 = 2.198 (BCF = 157.8) log Kow used: 3.76 (estimated) Volatilization from Water: Henry LC: 1.87E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.587E+006 hours (2.328E+005 days) Half-Life from Model Lake : 6.095E+007 hours (2.54E+006 days) Removal In Wastewater Treatment: Total removal: 20.42 percent Total biodegradation: 0.24 percent Total sludge adsorption: 20.18 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 0.0662 5.6 1000 Water 16.9 360 1000 Soil 81.7 720 1000 Sediment 1.29 3.24e+003 0 Persistence Time: 728 hr
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