Try beta.chemspider
5,12-Diphenyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
O=C6c7ccccc7N(c1ccccc1)c5cc4C(=O)c2c(cccc2)N(c3ccccc3)c4cc56
InChI=1S/C32H20N2O2/c35-31-23-15-7-9-17-27(23)33(21-11-3-1-4-12-21)29-19-26-30(20-25(29)31)34(22-13-5-2-6-14-22)28-18-10-8-16-24(28)32(26)36/h1-20H
HKHMXTFNINVDFI-UHFFFAOYSA-N
CSID:9678443, http://www.chemspider.com/Chemical-Structure.9678443.html (accessed 02:16, Jul 7, 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) = 4.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 647.43 (Adapted Stein & Brown method) Melting Pt (deg C): 281.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.1E-015 (Modified Grain method) Subcooled liquid VP: 4.18E-012 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): 0.006059 log Kow used: 4.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.0399e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.45E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.154E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.90 (KowWin est) Log Kaw used: -12.227 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.127 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3857 Biowin2 (Non-Linear Model) : 0.0048 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6621 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5669 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4397 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.5696 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): 5.57E-010 Pa (4.18E-012 mm Hg) Log Koa (Koawin est ): 17.127 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.38E+003 Octanol/air (Koa) model: 3.29E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.0000 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.642 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.931E+006 Log Koc: 6.773 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 = 2.237 (BCF = 172.5) log Kow used: 4.91 (estimated) Volatilization from Water: Henry LC: 1.45E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.703E+010 hours (3.626E+009 days) Half-Life from Model Lake : 9.494E+011 hours (3.956E+010 days) Removal In Wastewater Treatment: Total removal: 74.28 percent Total biodegradation: 0.65 percent Total sludge adsorption: 73.63 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 0.00485 1.28 1000 Water 3.8 4.32e+003 1000 Soil 81.5 8.64e+003 1000 Sediment 14.7 3.89e+004 0 Persistence Time: 7.06e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight