1,1,7,7-Tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol
CC1(CCN2CCC(c3c2c1ccc3O)(C)C)C
InChI=1S/C16H23NO/c1-15(2)7-9-17-10-8-16(3,4)13-12(18)6-5-11(15)14(13)17/h5-6,18H,7-10H2,1-4H3
RBFKOHMQYNQBAR-UHFFFAOYSA-N
CSID:762727, http://www.chemspider.com/Chemical-Structure.762727.html (accessed 10:06, Mar 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) = 4.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 343.62 (Adapted Stein & Brown method) Melting Pt (deg C): 132.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.34E-006 (Modified Grain method) Subcooled liquid VP: 5.13E-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): 1.535 log Kow used: 4.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.3255 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.16E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.128E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.93 (KowWin est) Log Kaw used: -6.324 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.254 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1734 Biowin2 (Non-Linear Model) : 0.0053 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0343 (months ) Biowin4 (Primary Survey Model) : 2.9385 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1938 Biowin6 (MITI Non-Linear Model): 0.0548 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8157 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): 0.00684 Pa (5.13E-005 mm Hg) Log Koa (Koawin est ): 11.254 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000439 Octanol/air (Koa) model: 0.0441 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0156 Mackay model : 0.0339 Octanol/air (Koa) model: 0.779 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 225.0033 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.570 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0247 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.062E+004 Log Koc: 4.026 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 = 2.649 (BCF = 445.5) log Kow used: 4.93 (estimated) Volatilization from Water: Henry LC: 1.16E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.906E+004 hours (3294 days) Half-Life from Model Lake : 8.626E+005 hours (3.594E+004 days) Removal In Wastewater Treatment: Total removal: 75.36 percent Total biodegradation: 0.66 percent Total sludge adsorption: 74.70 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 0.0165 1.14 1000 Water 8.38 1.44e+003 1000 Soil 69.7 2.88e+003 1000 Sediment 21.9 1.3e+004 0 Persistence Time: 2.44e+003 hr
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