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N,N-Dibutyl-4-methoxybenzamide
CCCCN(CCCC)C(=O)c1ccc(cc1)OC
InChI=1S/C16H25NO2/c1-4-6-12-17(13-7-5-2)16(18)14-8-10-15(19-3)11-9-14/h8-11H,4-7,12-13H2,1-3H3
WGPLHXDDNOKVTQ-UHFFFAOYSA-N
CSID:1618245, http://www.chemspider.com/Chemical-Structure.1618245.html (accessed 11:36, Apr 23, 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): 370.31 (Adapted Stein & Brown method) Melting Pt (deg C): 125.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.27E-006 (Modified Grain method) Subcooled liquid VP: 4.33E-005 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): 12.35 log Kow used: 3.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.6803 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.46E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.198E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.76 (KowWin est) Log Kaw used: -6.849 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.609 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1811 Biowin2 (Non-Linear Model) : 0.9996 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1015 (weeks ) Biowin4 (Primary Survey Model) : 4.2884 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5810 Biowin6 (MITI Non-Linear Model): 0.5613 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6537 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00577 Pa (4.33E-005 mm Hg) Log Koa (Koawin est ): 10.609 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00052 Octanol/air (Koa) model: 0.00998 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0184 Mackay model : 0.0399 Octanol/air (Koa) model: 0.444 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 50.3111 E-12 cm3/molecule-sec Half-Life = 0.213 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.551 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0292 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2729 Log Koc: 3.436 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 = 2.192 (BCF = 155.6) log Kow used: 3.76 (estimated) Volatilization from Water: Henry LC: 3.46E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.746E+005 hours (1.144E+004 days) Half-Life from Model Lake : 2.996E+006 hours (1.248E+005 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 0.0539 5.1 1000 Water 16.8 360 1000 Soil 81.8 720 1000 Sediment 1.28 3.24e+003 0 Persistence Time: 735 hr
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