4-(9-Chloro-10-phenyl-9,10-dihydro-9-acridinyl)-N,N-diethylaniline
CCN(CC)c1ccc(cc1)C2(c3ccccc3N(c4c2cccc4)c5ccccc5)Cl
InChI=1S/C29H27ClN2/c1-3-31(4-2)23-20-18-22(19-21-23)29(30)25-14-8-10-16-27(25)32(24-12-6-5-7-13-24)28-17-11-9-15-26(28)29/h5-21H,3-4H2,1-2H3
VSDSLMUSMFOWGP-UHFFFAOYSA-N
CSID:84365, http://www.chemspider.com/Chemical-Structure.84365.html (accessed 08:54, Mar 29, 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) = 8.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 535.02 (Adapted Stein & Brown method) Melting Pt (deg C): 228.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.27E-011 (Modified Grain method) Subcooled liquid VP: 3.53E-009 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): 1.843e-005 log Kow used: 8.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.2359e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.74E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.115E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.04 (KowWin est) Log Kaw used: -7.148 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.188 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0392 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3561 (recalcitrant) Biowin4 (Primary Survey Model) : 2.3892 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4555 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.1738 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): 4.71E-007 Pa (3.53E-009 mm Hg) Log Koa (Koawin est ): 15.188 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.37 Octanol/air (Koa) model: 378 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 217.7070 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.590 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.607E+007 Log Koc: 7.935 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 = 3.384 (BCF = 2419) log Kow used: 8.04 (estimated) Volatilization from Water: Henry LC: 1.74E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.05E+005 hours (2.938E+004 days) Half-Life from Model Lake : 7.691E+006 hours (3.205E+005 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.00488 1.18 1000 Water 0.748 4.32e+003 1000 Soil 40.2 8.64e+003 1000 Sediment 59 3.89e+004 0 Persistence Time: 1.08e+004 hr
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