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(E)-N,N-Dimethyl(phenylimino)methanaminium
C[NH+](C)/C=N/c1ccccc1
InChI=1S/C9H12N2/c1-11(2)8-10-9-6-4-3-5-7-9/h3-8H,1-2H3/p+1/b10-8+
SRPCLECGIYMIMN-CSKARUKUSA-O
CSID:4308037, http://www.chemspider.com/Chemical-Structure.4308037.html (accessed 17:34, Jul 27, 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) = 0.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 399.92 (Adapted Stein & Brown method) Melting Pt (deg C): 148.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.58E-007 (Modified Grain method) Subcooled liquid VP: 8.35E-006 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): 5.347e+004 log Kow used: 0.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2030.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.81E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.682E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.18 (KowWin est) Log Kaw used: -11.808 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.988 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8046 Biowin2 (Non-Linear Model) : 0.9364 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8914 (weeks ) Biowin4 (Primary Survey Model) : 3.6373 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2502 Biowin6 (MITI Non-Linear Model): 0.2715 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1856 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): 0.00111 Pa (8.35E-006 mm Hg) Log Koa (Koawin est ): 11.988 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00269 Octanol/air (Koa) model: 0.239 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0887 Mackay model : 0.177 Octanol/air (Koa) model: 0.95 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.7105 E-12 cm3/molecule-sec Half-Life = 0.471 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.652 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.133 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1155 Log Koc: 3.062 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 = 0.500 (BCF = 3.162) log Kow used: 0.18 (estimated) Volatilization from Water: Henry LC: 3.81E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.877E+010 hours (7.822E+008 days) Half-Life from Model Lake : 2.048E+011 hours (8.533E+009 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 9.94e-007 11.3 1000 Water 38.2 360 1000 Soil 61.7 720 1000 Sediment 0.0709 3.24e+003 0 Persistence Time: 584 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 399.92 (Adapted Stein & Brown method) Melting Pt (deg C): 148.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.58E-007 (Modified Grain method) Subcooled liquid VP: 8.35E-006 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): 5.347e+004 log Kow used: 0.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2030.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.81E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.682E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.18 (KowWin est) Log Kaw used: -11.808 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.988 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8046 Biowin2 (Non-Linear Model) : 0.9364 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8914 (weeks ) Biowin4 (Primary Survey Model) : 3.6373 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2502 Biowin6 (MITI Non-Linear Model): 0.2715 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1856 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): 0.00111 Pa (8.35E-006 mm Hg) Log Koa (Koawin est ): 11.988 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00269 Octanol/air (Koa) model: 0.239 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0887 Mackay model : 0.177 Octanol/air (Koa) model: 0.95 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.7105 E-12 cm3/molecule-sec Half-Life = 0.471 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.652 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.133 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1155 Log Koc: 3.062 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 = 0.500 (BCF = 3.162) log Kow used: 0.18 (estimated) Volatilization from Water: Henry LC: 3.81E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.877E+010 hours (7.822E+008 days) Half-Life from Model Lake : 2.048E+011 hours (8.533E+009 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 9.94e-007 11.3 1000 Water 38.2 360 1000 Soil 61.7 720 1000 Sediment 0.0709 3.24e+003 0 Persistence Time: 584 hr
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