N-Methyl-1-(3-pyridinyl)-1-butanamine
CCCC(c1cccnc1)NC
InChI=1S/C10H16N2/c1-3-5-10(11-2)9-6-4-7-12-8-9/h4,6-8,10-11H,3,5H2,1-2H3
NFZVCHHDNNTURD-UHFFFAOYSA-N
CSID:85059, http://www.chemspider.com/Chemical-Structure.85059.html (accessed 01:31, Apr 19, 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) = 1.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 242.98 (Adapted Stein & Brown method) Melting Pt (deg C): 46.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0242 (Modified Grain method) Subcooled liquid VP: 0.0381 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): 8.637e+005 log Kow used: 1.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4972e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.11E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.055E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.39 (KowWin est) Log Kaw used: -6.775 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.165 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6686 Biowin2 (Non-Linear Model) : 0.5370 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6465 (weeks-months) Biowin4 (Primary Survey Model) : 3.6353 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3461 Biowin6 (MITI Non-Linear Model): 0.2109 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1986 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): 5.08 Pa (0.0381 mm Hg) Log Koa (Koawin est ): 8.165 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.91E-007 Octanol/air (Koa) model: 3.59E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.13E-005 Mackay model : 4.72E-005 Octanol/air (Koa) model: 0.00286 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 90.0634 E-12 cm3/molecule-sec Half-Life = 0.119 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.425 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.43E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3176 Log Koc: 3.502 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 = 0.371 (BCF = 2.348) log Kow used: 1.39 (estimated) Volatilization from Water: Henry LC: 4.11E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.826E+005 hours (7607 days) Half-Life from Model Lake : 1.992E+006 hours (8.299E+004 days) Removal In Wastewater Treatment: Total removal: 1.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 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 0.0392 2.85 1000 Water 36.5 900 1000 Soil 63.4 1.8e+003 1000 Sediment 0.0872 8.1e+003 0 Persistence Time: 1.01e+003 hr
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