Try beta.chemspider
1,2-Dimethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carbaldehyde
COc1cc2c3c(cc4ccccc4c3c1OC)N(CC2)C=O
InChI=1S/C19H17NO3/c1-22-16-10-13-7-8-20(11-21)15-9-12-5-3-4-6-14(12)18(17(13)15)19(16)23-2/h3-6,9-11H,7-8H2,1-2H3
GVNKYYXGDKTHHM-UHFFFAOYSA-N
CSID:115569, http://www.chemspider.com/Chemical-Structure.115569.html (accessed 19:29, Apr 23, 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) = 3.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 471.47 (Adapted Stein & Brown method) Melting Pt (deg C): 199.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.08E-009 (Modified Grain method) Subcooled liquid VP: 1.43E-007 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): 1.097 log Kow used: 3.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.9704 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.81E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.668E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.39 (KowWin est) Log Kaw used: -9.940 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.330 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1299 Biowin2 (Non-Linear Model) : 0.9984 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2747 (weeks-months) Biowin4 (Primary Survey Model) : 3.6954 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3290 Biowin6 (MITI Non-Linear Model): 0.1252 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3493 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): 1.91E-005 Pa (1.43E-007 mm Hg) Log Koa (Koawin est ): 13.330 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.157 Octanol/air (Koa) model: 5.25 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.85 Mackay model : 0.926 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 213.4921 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.601 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.888 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.024E+004 Log Koc: 4.010 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 = 1.911 (BCF = 81.51) log Kow used: 3.39 (estimated) Volatilization from Water: Henry LC: 2.81E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.653E+008 hours (1.522E+007 days) Half-Life from Model Lake : 3.985E+009 hours (1.66E+008 days) Removal In Wastewater Treatment: Total removal: 10.76 percent Total biodegradation: 0.17 percent Total sludge adsorption: 10.60 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 0.000192 1.2 1000 Water 11.8 900 1000 Soil 87.5 1.8e+003 1000 Sediment 0.66 8.1e+003 0 Persistence Time: 1.83e+003 hr
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