N,N-Dimethyl-4-{[(4-methylbenzyl)amino]methyl}aniline
Cc1ccc(cc1)CNCc2ccc(cc2)N(C)C
InChI=1S/C17H22N2/c1-14-4-6-15(7-5-14)12-18-13-16-8-10-17(11-9-16)19(2)3/h4-11,18H,12-13H2,1-3H3
CRDMPSYPYNNFOK-UHFFFAOYSA-N
CSID:2265382, http://www.chemspider.com/Chemical-Structure.2265382.html (accessed 15:14, 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) = 3.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.63 (Adapted Stein & Brown method) Melting Pt (deg C): 122.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.57E-006 (Modified Grain method) Subcooled liquid VP: 6.98E-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): 93.12 log Kow used: 3.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 151.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.90E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.721E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.97 (KowWin est) Log Kaw used: -7.110 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.080 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6297 Biowin2 (Non-Linear Model) : 0.2424 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3318 (weeks-months) Biowin4 (Primary Survey Model) : 3.1675 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0995 Biowin6 (MITI Non-Linear Model): 0.0075 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3705 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): 0.00931 Pa (6.98E-005 mm Hg) Log Koa (Koawin est ): 11.080 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000322 Octanol/air (Koa) model: 0.0295 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0115 Mackay model : 0.0251 Octanol/air (Koa) model: 0.702 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 283.0380 E-12 cm3/molecule-sec Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.209 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0183 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.636E+004 Log Koc: 4.214 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 = 2.355 (BCF = 226.6) log Kow used: 3.97 (estimated) Volatilization from Water: Henry LC: 1.9E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.915E+005 hours (2.048E+004 days) Half-Life from Model Lake : 5.362E+006 hours (2.234E+005 days) Removal In Wastewater Treatment: Total removal: 28.71 percent Total biodegradation: 0.31 percent Total sludge adsorption: 28.40 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 0.0103 0.907 1000 Water 12.6 900 1000 Soil 84.6 1.8e+003 1000 Sediment 2.77 8.1e+003 0 Persistence Time: 1.58e+003 hr
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