Try beta.chemspider
6,6-Diphenyl-5(6H)-phenanthridinol
c1ccc(cc1)C2(c3ccccc3-c4ccccc4N2O)c5ccccc5
InChI=1S/C25H19NO/c27-26-24-18-10-8-16-22(24)21-15-7-9-17-23(21)25(26,19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18,27H
BEIPDONXZRKANB-UHFFFAOYSA-N
CSID:297917, http://www.chemspider.com/Chemical-Structure.297917.html (accessed 21:19, Jul 10, 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) = 6.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 559.52 (Adapted Stein & Brown method) Melting Pt (deg C): 240.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-014 (Modified Grain method) Subcooled liquid VP: 2.73E-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): 0.002751 log Kow used: 6.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0035484 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.43E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.139E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.14 (KowWin est) Log Kaw used: -9.233 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.373 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6534 Biowin2 (Non-Linear Model) : 0.4804 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2589 (weeks-months) Biowin4 (Primary Survey Model) : 3.1999 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1119 Biowin6 (MITI Non-Linear Model): 0.0067 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7795 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): 3.64E-010 Pa (2.73E-012 mm Hg) Log Koa (Koawin est ): 15.373 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.24E+003 Octanol/air (Koa) model: 579 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 = 21.5255 E-12 cm3/molecule-sec Half-Life = 0.497 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.963 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 : 6.467E+006 Log Koc: 6.811 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 = 4.030 (BCF = 1.072e+004) log Kow used: 6.14 (estimated) Volatilization from Water: Henry LC: 1.43E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.654E+007 hours (3.189E+006 days) Half-Life from Model Lake : 8.349E+008 hours (3.479E+007 days) Removal In Wastewater Treatment: Total removal: 92.67 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.90 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 0.118 11.9 1000 Water 3.3 900 1000 Soil 38.5 1.8e+003 1000 Sediment 58.1 8.1e+003 0 Persistence Time: 2.87e+003 hr
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