11-Chloro-1,4-dimethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Cc1ccc(c2c1c(c3c(n2)CCCCC3)Cl)C
InChI=1S/C16H18ClN/c1-10-8-9-11(2)16-14(10)15(17)12-6-4-3-5-7-13(12)18-16/h8-9H,3-7H2,1-2H3
CSANWHVDIQWLEU-UHFFFAOYSA-N
CSID:21095, http://www.chemspider.com/Chemical-Structure.21095.html (accessed 02:18, Apr 19, 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) = 6.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 370.20 (Adapted Stein & Brown method) Melting Pt (deg C): 135.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.36E-006 (Modified Grain method) Subcooled liquid VP: 4.35E-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): 0.0808 log Kow used: 6.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.2565 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.80E-007 atm-m3/mole Group Method: 8.68E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.421E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.34 (KowWin est) Log Kaw used: -4.496 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.836 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6601 Biowin2 (Non-Linear Model) : 0.4044 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1191 (months ) Biowin4 (Primary Survey Model) : 3.0335 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0074 Biowin6 (MITI Non-Linear Model): 0.0203 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1042 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): 0.0058 Pa (4.35E-005 mm Hg) Log Koa (Koawin est ): 10.836 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000517 Octanol/air (Koa) model: 0.0168 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0183 Mackay model : 0.0397 Octanol/air (Koa) model: 0.574 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.7405 E-12 cm3/molecule-sec Half-Life = 0.185 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.223 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.029 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.736E+005 Log Koc: 5.240 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 = 4.180 (BCF = 1.512e+004) log Kow used: 6.34 (estimated) Volatilization from Water: Henry LC: 8.68E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1089 hours (45.37 days) Half-Life from Model Lake : 1.201E+004 hours (500.5 days) Removal In Wastewater Treatment: Total removal: 93.17 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.39 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 0.0467 4.44 1000 Water 2.19 1.44e+003 1000 Soil 33.6 2.88e+003 1000 Sediment 64.2 1.3e+004 0 Persistence Time: 4.21e+003 hr
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