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4-[(Methylamino)methyl]aniline
CNCc1ccc(cc1)N
InChI=1S/C8H12N2/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3
FTAMTADBFJSWRE-UHFFFAOYSA-N
CSID:110067, http://www.chemspider.com/Chemical-Structure.110067.html (accessed 11:55, Jun 10, 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) = 0.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 257.03 (Adapted Stein & Brown method) Melting Pt (deg C): 51.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0106 (Modified Grain method) Subcooled liquid VP: 0.0185 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): 2.622e+005 log Kow used: 0.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.2533e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.75E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.245E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.62 (KowWin est) Log Kaw used: -7.712 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.332 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6028 Biowin2 (Non-Linear Model) : 0.5690 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7877 (weeks ) Biowin4 (Primary Survey Model) : 3.5861 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1601 Biowin6 (MITI Non-Linear Model): 0.0730 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2669 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): 2.47 Pa (0.0185 mm Hg) Log Koa (Koawin est ): 8.332 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.22E-006 Octanol/air (Koa) model: 5.27E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.39E-005 Mackay model : 9.73E-005 Octanol/air (Koa) model: 0.0042 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 204.0985 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.629 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.06E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 145.9 Log Koc: 2.164 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: 0.62 (estimated) Volatilization from Water: Henry LC: 4.75E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.438E+006 hours (5.994E+004 days) Half-Life from Model Lake : 1.569E+007 hours (6.539E+005 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 1.26 1000 Water 37.4 360 1000 Soil 62.5 720 1000 Sediment 0.0712 3.24e+003 0 Persistence Time: 570 hr
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