2-(10(9H)-Acridinyl)-N,N-dimethylethanamine
CN(C)CCN1c2ccccc2Cc3c1cccc3
InChI=1S/C17H20N2/c1-18(2)11-12-19-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)19/h3-10H,11-13H2,1-2H3
GKKYIFVZOUAVAT-UHFFFAOYSA-N
CSID:169937, http://www.chemspider.com/Chemical-Structure.169937.html (accessed 20:27, Jun 1, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 357.77 (Adapted Stein & Brown method) Melting Pt (deg C): 125.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.58E-006 (Modified Grain method) Subcooled liquid VP: 8.63E-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): 10.44 log Kow used: 3.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 26.317 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.73E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.729E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.79 (KowWin est) Log Kaw used: -6.630 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.420 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2716 Biowin2 (Non-Linear Model) : 0.0116 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0570 (months ) Biowin4 (Primary Survey Model) : 2.8391 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0986 Biowin6 (MITI Non-Linear Model): 0.0090 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3060 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): 0.0115 Pa (8.63E-005 mm Hg) Log Koa (Koawin est ): 10.420 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000261 Octanol/air (Koa) model: 0.00646 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00933 Mackay model : 0.0204 Octanol/air (Koa) model: 0.341 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 290.8317 E-12 cm3/molecule-sec Half-Life = 0.037 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.480 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0149 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.863E+004 Log Koc: 4.270 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 = 2.222 (BCF = 166.6) log Kow used: 3.79 (estimated) Volatilization from Water: Henry LC: 5.73E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.623E+005 hours (6763 days) Half-Life from Model Lake : 1.771E+006 hours (7.379E+004 days) Removal In Wastewater Treatment: Total removal: 21.47 percent Total biodegradation: 0.25 percent Total sludge adsorption: 21.22 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 0.0132 0.883 1000 Water 11.4 1.44e+003 1000 Soil 86.5 2.88e+003 1000 Sediment 2.04 1.3e+004 0 Persistence Time: 2.07e+003 hr
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