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4-[(Butylamino)methyl]-N,N-diethylaniline
CCCCNCc1ccc(cc1)N(CC)CC
InChI=1S/C15H26N2/c1-4-7-12-16-13-14-8-10-15(11-9-14)17(5-2)6-3/h8-11,16H,4-7,12-13H2,1-3H3
NVUUVZRJYNYVSZ-UHFFFAOYSA-N
CSID:361643, http://www.chemspider.com/Chemical-Structure.361643.html (accessed 15:08, Apr 26, 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) = 4.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 322.35 (Adapted Stein & Brown method) Melting Pt (deg C): 92.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000133 (Modified Grain method) Subcooled liquid VP: 0.000591 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): 80.88 log Kow used: 4.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 263.3 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]: 5.071E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.17 (KowWin est) Log Kaw used: -5.444 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.614 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6930 Biowin2 (Non-Linear Model) : 0.6013 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7492 (weeks-months) Biowin4 (Primary Survey Model) : 3.5339 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1888 Biowin6 (MITI Non-Linear Model): 0.0571 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8770 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): 0.0788 Pa (0.000591 mm Hg) Log Koa (Koawin est ): 9.614 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.81E-005 Octanol/air (Koa) model: 0.00101 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00137 Mackay model : 0.00304 Octanol/air (Koa) model: 0.0747 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 281.3564 E-12 cm3/molecule-sec Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.371 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0022 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5882 Log Koc: 3.769 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 = 2.510 (BCF = 323.3) log Kow used: 4.17 (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: 38.38 percent Total biodegradation: 0.39 percent Total sludge adsorption: 37.99 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 0.0366 0.912 1000 Water 16.3 900 1000 Soil 78 1.8e+003 1000 Sediment 5.72 8.1e+003 0 Persistence Time: 1.14e+003 hr
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