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N,N-Diethyl-4-[(isobutylamino)methyl]aniline
CCN(CC)c1ccc(cc1)CNCC(C)C
InChI=1S/C15H26N2/c1-5-17(6-2)15-9-7-14(8-10-15)12-16-11-13(3)4/h7-10,13,16H,5-6,11-12H2,1-4H3
MMKHYXCSEPBBEC-UHFFFAOYSA-N
CSID:3906821, http://www.chemspider.com/Chemical-Structure.3906821.html (accessed 18:32, 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) = 4.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 314.21 (Adapted Stein & Brown method) Melting Pt (deg C): 82.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00026 (Modified Grain method) Subcooled liquid VP: 0.000915 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): 93.46 log Kow used: 4.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 441.27 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.80E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.580E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.09 (KowWin est) Log Kaw used: -5.444 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.534 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5845 Biowin2 (Non-Linear Model) : 0.1927 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4508 (weeks-months) Biowin4 (Primary Survey Model) : 3.2649 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0397 Biowin6 (MITI Non-Linear Model): 0.0231 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8567 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): 0.122 Pa (0.000915 mm Hg) Log Koa (Koawin est ): 9.534 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.46E-005 Octanol/air (Koa) model: 0.000839 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000887 Mackay model : 0.00196 Octanol/air (Koa) model: 0.0629 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 281.3480 E-12 cm3/molecule-sec Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.372 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00143 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4930 Log Koc: 3.693 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 = 2.453 (BCF = 283.8) log Kow used: 4.09 (estimated) Volatilization from Water: Henry LC: 8.8E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.019E+004 hours (424.5 days) Half-Life from Model Lake : 1.113E+005 hours (4636 days) Removal In Wastewater Treatment: Total removal: 34.34 percent Total biodegradation: 0.35 percent Total sludge adsorption: 33.98 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 0.0369 0.912 1000 Water 16.5 900 1000 Soil 78.6 1.8e+003 1000 Sediment 4.81 8.1e+003 0 Persistence Time: 1.13e+003 hr
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