2,4,7,9-Tetramethyl-1,10-phenanthroline
n1c3c(c(cc1C)C)ccc2c(cc(nc23)C)C CopyCopied
InChI=1S/C16H16N2/c1-9-7-11(3)17-15-13(9)5-6-14-10(2)8-12(4)18-16(14)15/h5-8H,1-4H3 CopyCopied
XLLDGHKSXHVKJV-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 385.57 (Adapted Stein & Brown method) Melting Pt (deg C): 148.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.05E-006 (Modified Grain method) Subcooled liquid VP: 1.86E-005 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): 0.3251 log Kow used: 4.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.9818 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.30E-010 atm-m3/mole Group Method: 9.74E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.004E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.48 (KowWin est) Log Kaw used: -8.275 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.755 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8537 Biowin2 (Non-Linear Model) : 0.8767 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3775 (weeks-months) Biowin4 (Primary Survey Model) : 3.2327 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2078 Biowin6 (MITI Non-Linear Model): 0.0700 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0327 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): 0.00248 Pa (1.86E-005 mm Hg) Log Koa (Koawin est ): 12.755 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00121 Octanol/air (Koa) model: 1.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0419 Mackay model : 0.0882 Octanol/air (Koa) model: 0.991 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.0268 E-12 cm3/molecule-sec Half-Life = 0.509 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.104 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.065 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.493E+005 Log Koc: 5.174 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 = 2.751 (BCF = 563.2) log Kow used: 4.48 (estimated) Volatilization from Water: Henry LC: 9.74E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.241E+005 hours (3.85E+004 days) Half-Life from Model Lake : 1.008E+007 hours (4.2E+005 days) Removal In Wastewater Treatment: Total removal: 54.97 percent Total biodegradation: 0.51 percent Total sludge adsorption: 54.46 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 0.00692 12.2 1000 Water 10.1 900 1000 Soil 82.6 1.8e+003 1000 Sediment 7.27 8.1e+003 0 Persistence Time: 1.96e+003 hr
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