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- Double-bond stereo
(9Z)-9-(Phenylhydrazono)-9H-fluorene-4-carbonitrile
c1ccc(cc1)N/N=C\2/c3ccccc3-c4c2cccc4C#N
InChI=1S/C20H13N3/c21-13-14-7-6-12-18-19(14)16-10-4-5-11-17(16)20(18)23-22-15-8-2-1-3-9-15/h1-12,22H/b23-20-
OKZBTGRMRLMDCD-ATJXCDBQSA-N
CSID:4718998, http://www.chemspider.com/Chemical-Structure.4718998.html (accessed 09:51, Jul 6, 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) = 5.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 466.95 (Adapted Stein & Brown method) Melting Pt (deg C): 190.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.39E-009 (Modified Grain method) Subcooled liquid VP: 1.86E-007 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): 0.02327 log Kow used: 5.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.022246 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.12E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.661E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.12 (KowWin est) Log Kaw used: -8.339 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.459 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0420 Biowin2 (Non-Linear Model) : 0.9948 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4861 (weeks-months) Biowin4 (Primary Survey Model) : 3.3613 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0038 Biowin6 (MITI Non-Linear Model): 0.0131 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0909 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): 2.48E-005 Pa (1.86E-007 mm Hg) Log Koa (Koawin est ): 13.459 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.121 Octanol/air (Koa) model: 7.06 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.814 Mackay model : 0.906 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 46.3695 E-12 cm3/molecule-sec Half-Life = 0.231 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.768 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.86 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.499E+005 Log Koc: 5.176 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 = 3.244 (BCF = 1755) log Kow used: 5.12 (estimated) Volatilization from Water: Henry LC: 1.12E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.984E+006 hours (3.743E+005 days) Half-Life from Model Lake : 9.801E+007 hours (4.084E+006 days) Removal In Wastewater Treatment: Total removal: 81.16 percent Total biodegradation: 0.70 percent Total sludge adsorption: 80.46 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 0.00445 5.54 1000 Water 7.61 900 1000 Soil 69.8 1.8e+003 1000 Sediment 22.5 8.1e+003 0 Persistence Time: 2.31e+003 hr
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