1,2,9,10-Tetramethoxy-6,7-dimethyl-5,6-dihydro-4H-dibenzo[de,g]quinoline
Cc1c2cc(c(cc2c3c4c1N(CCc4cc(c3OC)OC)C)OC)OC
InChI=1S/C22H25NO4/c1-12-14-10-16(24-3)17(25-4)11-15(14)20-19-13(7-8-23(2)21(12)19)9-18(26-5)22(20)27-6/h9-11H,7-8H2,1-6H3
RBCAXOSUUINIHP-UHFFFAOYSA-N
CSID:47940, http://www.chemspider.com/Chemical-Structure.47940.html (accessed 08:27, 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) = 4.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 488.21 (Adapted Stein & Brown method) Melting Pt (deg C): 207.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.4E-010 (Modified Grain method) Subcooled liquid VP: 5.45E-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): 0.0303 log Kow used: 4.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.022121 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.37E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.021E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.79 (KowWin est) Log Kaw used: -9.658 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.448 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0043 Biowin2 (Non-Linear Model) : 0.9967 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7502 (months ) Biowin4 (Primary Survey Model) : 3.2010 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3473 Biowin6 (MITI Non-Linear Model): 0.0598 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8244 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): 7.27E-006 Pa (5.45E-008 mm Hg) Log Koa (Koawin est ): 14.448 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.413 Octanol/air (Koa) model: 68.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.937 Mackay model : 0.971 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 216.5520 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.593 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.954 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.064E+006 Log Koc: 6.027 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 = 2.992 (BCF = 981.7) log Kow used: 4.79 (estimated) Volatilization from Water: Henry LC: 5.37E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.09E+008 hours (8.708E+006 days) Half-Life from Model Lake : 2.28E+009 hours (9.5E+007 days) Removal In Wastewater Treatment: Total removal: 69.95 percent Total biodegradation: 0.62 percent Total sludge adsorption: 69.33 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 0.000508 1.19 1000 Water 6.96 1.44e+003 1000 Soil 79.7 2.88e+003 1000 Sediment 13.3 1.3e+004 0 Persistence Time: 3.25e+003 hr
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