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4-[(Ethylamino)methyl]-N,N-dimethylaniline
CCNCc1ccc(cc1)N(C)C
InChI=1S/C11H18N2/c1-4-12-9-10-5-7-11(8-6-10)13(2)3/h5-8,12H,4,9H2,1-3H3
JPQUAUQJXYRDKM-UHFFFAOYSA-N
CSID:2780790, http://www.chemspider.com/Chemical-Structure.2780790.html (accessed 15:29, Jun 28, 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) = 2.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 262.17 (Adapted Stein & Brown method) Melting Pt (deg C): 52.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00801 (Modified Grain method) Subcooled liquid VP: 0.0142 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): 7501 log Kow used: 2.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28164 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.83E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.505E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.20 (KowWin est) Log Kaw used: -5.937 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.137 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6112 Biowin2 (Non-Linear Model) : 0.3462 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5748 (weeks-months) Biowin4 (Primary Survey Model) : 3.3458 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1580 Biowin6 (MITI Non-Linear Model): 0.0521 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6633 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): 1.89 Pa (0.0142 mm Hg) Log Koa (Koawin est ): 8.137 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.58E-006 Octanol/air (Koa) model: 3.37E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.72E-005 Mackay model : 0.000127 Octanol/air (Koa) model: 0.00268 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 283.0693 E-12 cm3/molecule-sec Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.206 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.2E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 463.1 Log Koc: 2.666 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 = 0.997 (BCF = 9.931) log Kow used: 2.20 (estimated) Volatilization from Water: Henry LC: 2.83E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.762E+004 hours (1151 days) Half-Life from Model Lake : 3.015E+005 hours (1.256E+004 days) Removal In Wastewater Treatment: Total removal: 2.48 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.38 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 0.0422 0.907 1000 Water 26 900 1000 Soil 73.8 1.8e+003 1000 Sediment 0.13 8.1e+003 0 Persistence Time: 934 hr
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