- Double-bond stereo
(1E)-N-Butyl-2-methyl-1-propanimine
CCCC/N=C/C(C)C
InChI=1S/C8H17N/c1-4-5-6-9-7-8(2)3/h7-8H,4-6H2,1-3H3/b9-7+
ICXVVVQXAMOEJE-VQHVLOKHSA-N
CSID:122457, http://www.chemspider.com/Chemical-Structure.122457.html (accessed 21:54, 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) = 2.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 139.20 (Adapted Stein & Brown method) Melting Pt (deg C): -71.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.59 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 336.3 log Kow used: 2.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 52.711 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.66E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.280E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.87 (KowWin est) Log Kaw used: 0.036 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.834 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7954 Biowin2 (Non-Linear Model) : 0.9546 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2163 (weeks ) Biowin4 (Primary Survey Model) : 3.9332 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3818 Biowin6 (MITI Non-Linear Model): 0.5000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0259 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): 809 Pa (6.07 mm Hg) Log Koa (Koawin est ): 2.834 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.71E-009 Octanol/air (Koa) model: 1.67E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.34E-007 Mackay model : 2.97E-007 Octanol/air (Koa) model: 1.34E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.9849 E-12 cm3/molecule-sec Half-Life = 1.190 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.285 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.15E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 783.4 Log Koc: 2.894 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 = 1.507 (BCF = 32.12) log Kow used: 2.87 (estimated) Volatilization from Water: Henry LC: 0.0266 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.176 hours Half-Life from Model Lake : 107.4 hours (4.475 days) Removal In Wastewater Treatment: Total removal: 91.29 percent Total biodegradation: 0.03 percent Total sludge adsorption: 2.19 percent Total to Air: 89.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 21.5 28.6 1000 Water 57.1 360 1000 Soil 20.7 720 1000 Sediment 0.751 3.24e+003 0 Persistence Time: 108 hr
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