Try beta.chemspider
5,13-Dimethylindolo[2',3':5,6]naphtho[2,3-a]carbazole-6,14(5H,13H)-dione
Cn1c2ccccc2c3c1c4c(cc3)C(=O)c5c(ccc6c5n(c7c6cccc7)C)C4=O
InChI=1S/C28H18N2O2/c1-29-21-9-5-3-7-15(21)17-11-13-19-23(25(17)29)27(31)20-14-12-18-16-8-4-6-10-22(16)30(2)26(18)24(20)28(19)32/h3-14H,1-2H3
YPAVHGKGVMQLLB-UHFFFAOYSA-N
CSID:333823, http://www.chemspider.com/Chemical-Structure.333823.html (accessed 05:33, Jun 1, 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) = 6.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 651.77 (Adapted Stein & Brown method) Melting Pt (deg C): 283.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.42E-015 (Modified Grain method) Subcooled liquid VP: 3.21E-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): 0.0002405 log Kow used: 6.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.502e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.73E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.002E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.91 (KowWin est) Log Kaw used: -13.817 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.727 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5639 Biowin2 (Non-Linear Model) : 0.0223 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2383 (months ) Biowin4 (Primary Survey Model) : 3.2053 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1860 Biowin6 (MITI Non-Linear Model): 0.0018 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2520 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): 4.28E-010 Pa (3.21E-012 mm Hg) Log Koa (Koawin est ): 20.727 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.01E+003 Octanol/air (Koa) model: 1.31E+008 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 = 15.6415 E-12 cm3/molecule-sec Half-Life = 0.684 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.206 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 : 2.568E+006 Log Koc: 6.410 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 = 3.784 (BCF = 6085) log Kow used: 6.91 (estimated) Volatilization from Water: Henry LC: 3.73E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.196E+012 hours (1.331E+011 days) Half-Life from Model Lake : 3.486E+013 hours (1.453E+012 days) Removal In Wastewater Treatment: Total removal: 93.80 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.02 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 0.00047 16.4 1000 Water 1.33 1.44e+003 1000 Soil 43.2 2.88e+003 1000 Sediment 55.4 1.3e+004 0 Persistence Time: 6.07e+003 hr
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