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N-Methyl-1-(1-naphthyl)-N-(1-naphthylmethyl)methanamine
CN(Cc1cccc2c1cccc2)Cc3cccc4c3cccc4
InChI=1S/C23H21N/c1-24(16-20-12-6-10-18-8-2-4-14-22(18)20)17-21-13-7-11-19-9-3-5-15-23(19)21/h2-15H,16-17H2,1H3
ZDYZHECSPYIYSS-UHFFFAOYSA-N
CSID:193787, http://www.chemspider.com/Chemical-Structure.193787.html (accessed 02:30, Jul 6, 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) = 5.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 458.53 (Adapted Stein & Brown method) Melting Pt (deg C): 173.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.72E-009 (Modified Grain method) Subcooled liquid VP: 3.02E-007 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): 0.09155 log Kow used: 5.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.02343 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.27E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.903E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.81 (KowWin est) Log Kaw used: -7.032 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.842 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3940 Biowin2 (Non-Linear Model) : 0.0257 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2562 (weeks-months) Biowin4 (Primary Survey Model) : 3.1104 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2951 Biowin6 (MITI Non-Linear Model): 0.0029 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6690 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): 4.03E-005 Pa (3.02E-007 mm Hg) Log Koa (Koawin est ): 12.842 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0745 Octanol/air (Koa) model: 1.71 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.729 Mackay model : 0.856 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 191.9827 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.669 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.793 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.39E+006 Log Koc: 6.530 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 = 3.771 (BCF = 5899) log Kow used: 5.81 (estimated) Volatilization from Water: Henry LC: 2.27E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.552E+005 hours (1.897E+004 days) Half-Life from Model Lake : 4.966E+006 hours (2.069E+005 days) Removal In Wastewater Treatment: Total removal: 91.15 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.38 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 0.0166 1.34 1000 Water 4.62 900 1000 Soil 44.3 1.8e+003 1000 Sediment 51.1 8.1e+003 0 Persistence Time: 2.54e+003 hr
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