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N,N-Dibutyl-4-(2,4-dichlorophenoxy)butanamide
CCCCN(CCCC)C(=O)CCCOc1ccc(cc1Cl)Cl
InChI=1S/C18H27Cl2NO2/c1-3-5-11-21(12-6-4-2)18(22)8-7-13-23-17-10-9-15(19)14-16(17)20/h9-10,14H,3-8,11-13H2,1-2H3
MUPYEJLJMQQAIT-UHFFFAOYSA-N
CSID:1621597, http://www.chemspider.com/Chemical-Structure.1621597.html (accessed 01:36, May 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) = 5.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 430.91 (Adapted Stein & Brown method) Melting Pt (deg C): 163.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.44E-008 (Modified Grain method) Subcooled liquid VP: 1.46E-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): 0.04242 log Kow used: 5.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.044341 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.24E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.080E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.97 (KowWin est) Log Kaw used: -7.295 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.265 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7701 Biowin2 (Non-Linear Model) : 0.9233 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4740 (weeks-months) Biowin4 (Primary Survey Model) : 3.8179 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4446 Biowin6 (MITI Non-Linear Model): 0.1369 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2053 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): 0.000195 Pa (1.46E-006 mm Hg) Log Koa (Koawin est ): 13.265 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0154 Octanol/air (Koa) model: 4.52 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.358 Mackay model : 0.552 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.3303 E-12 cm3/molecule-sec Half-Life = 0.204 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.453 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.455 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.48E+004 Log Koc: 4.812 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 = 2.900 (BCF = 794.6) log Kow used: 5.97 (estimated) Volatilization from Water: Henry LC: 1.24E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.963E+005 hours (3.734E+004 days) Half-Life from Model Lake : 9.778E+006 hours (4.074E+005 days) Removal In Wastewater Treatment: Total removal: 92.02 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.25 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 0.00777 4.91 1000 Water 3.44 900 1000 Soil 48 1.8e+003 1000 Sediment 48.5 8.1e+003 0 Persistence Time: 3.24e+003 hr
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