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5,8-Dimethyl-6,7-dihydrodibenzo[b,j][1,10]phenanthroline
Cc1c2ccccc2nc-3c1CCc4c3nc5ccccc5c4C
InChI=1S/C22H18N2/c1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21/h3-10H,11-12H2,1-2H3
RWOUETIZGZHNKY-UHFFFAOYSA-N
CSID:144916, http://www.chemspider.com/Chemical-Structure.144916.html (accessed 14:53, May 4, 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) = 6.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 488.07 (Adapted Stein & Brown method) Melting Pt (deg C): 207.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.46E-010 (Modified Grain method) Subcooled liquid VP: 5.49E-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): 0.004793 log Kow used: 6.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.018881 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.42E-012 atm-m3/mole Group Method: 6.43E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.505E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.13 (KowWin est) Log Kaw used: -9.743 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.873 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8185 Biowin2 (Non-Linear Model) : 0.7129 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2138 (months ) Biowin4 (Primary Survey Model) : 3.1258 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1740 Biowin6 (MITI Non-Linear Model): 0.0060 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9145 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): 7.32E-006 Pa (5.49E-008 mm Hg) Log Koa (Koawin est ): 15.873 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.41 Octanol/air (Koa) model: 1.83E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.937 Mackay model : 0.97 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 83.0163 E-12 cm3/molecule-sec Half-Life = 0.129 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.546 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 : 7.316E+006 Log Koc: 6.864 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 = 4.022 (BCF = 1.053e+004) log Kow used: 6.13 (estimated) Volatilization from Water: Henry LC: 6.43E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.604E+008 hours (6.684E+006 days) Half-Life from Model Lake : 1.75E+009 hours (7.292E+007 days) Removal In Wastewater Treatment: Total removal: 92.64 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.86 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 0.000368 3.09 1000 Water 2.12 1.44e+003 1000 Soil 48.3 2.88e+003 1000 Sediment 49.5 1.3e+004 0 Persistence Time: 5.41e+003 hr
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