1-(4-Chlorophenyl)-5-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole
Cc1c2c(cc3c1[nH]c4c3cccc4)C(=NCC2)c5ccc(cc5)Cl
InChI=1S/C22H17ClN2/c1-13-16-10-11-24-22(14-6-8-15(23)9-7-14)18(16)12-19-17-4-2-3-5-20(17)25-21(13)19/h2-9,12,25H,10-11H2,1H3
DRLPKPSUSZYUDY-UHFFFAOYSA-N
CSID:224891, http://www.chemspider.com/Chemical-Structure.224891.html (accessed 10:09, Apr 20, 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) = 6.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 493.46 (Adapted Stein & Brown method) Melting Pt (deg C): 209.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.41E-010 (Modified Grain method) Subcooled liquid VP: 4.01E-008 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): 0.001082 log Kow used: 6.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00012048 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.55E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.849E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.65 (KowWin est) Log Kaw used: -7.456 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.106 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2765 Biowin2 (Non-Linear Model) : 0.0094 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9459 (months ) Biowin4 (Primary Survey Model) : 2.9394 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3858 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3164 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): 5.35E-006 Pa (4.01E-008 mm Hg) Log Koa (Koawin est ): 14.106 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.561 Octanol/air (Koa) model: 31.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.953 Mackay model : 0.978 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 147.6641 E-12 cm3/molecule-sec Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.869 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.966 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.209E+006 Log Koc: 6.344 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 = 4.421 (BCF = 2.633e+004) log Kow used: 6.65 (estimated) Volatilization from Water: Henry LC: 8.55E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.272E+006 hours (5.298E+004 days) Half-Life from Model Lake : 1.387E+007 hours (5.78E+005 days) Removal In Wastewater Treatment: Total removal: 93.61 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.83 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 0.0133 1.74 1000 Water 1.71 1.44e+003 1000 Soil 35.1 2.88e+003 1000 Sediment 63.2 1.3e+004 0 Persistence Time: 4.75e+003 hr
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