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- Double-bond stereo
3-[(E)-(9H-Fluoren-9-ylidenehydrazono)methyl]pyridine
N(\N=C\c1cccnc1)=C4\c2ccccc2c3ccccc34
InChI=1S/C19H13N3/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)19(17)22-21-13-14-6-5-11-20-12-14/h1-13H/b21-13+
SHDAOTAETWZKIH-FYJGNVAPSA-N
CSID:5281540, http://www.chemspider.com/Chemical-Structure.5281540.html (accessed 06:14, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 432.30 (Adapted Stein & Brown method) Melting Pt (deg C): 165.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.8E-008 (Modified Grain method) Subcooled liquid VP: 1.35E-006 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): 0.3455 log Kow used: 5.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.20738 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.42E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.179E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.66 (KowWin est) Log Kaw used: -7.236 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.896 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4581 Biowin2 (Non-Linear Model) : 0.0658 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3589 (weeks-months) Biowin4 (Primary Survey Model) : 3.4202 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0754 Biowin6 (MITI Non-Linear Model): 0.0120 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3651 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): 0.00018 Pa (1.35E-006 mm Hg) Log Koa (Koawin est ): 12.896 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0167 Octanol/air (Koa) model: 1.93 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.376 Mackay model : 0.571 Octanol/air (Koa) model: 0.994 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.9452 E-12 cm3/molecule-sec Half-Life = 0.977 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.727 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.474 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.45E+005 Log Koc: 5.736 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 = 3.661 (BCF = 4586) log Kow used: 5.66 (estimated) Volatilization from Water: Henry LC: 1.42E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.94E+005 hours (2.892E+004 days) Half-Life from Model Lake : 7.571E+006 hours (3.155E+005 days) Removal In Wastewater Treatment: Total removal: 89.99 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.24 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 0.0111 23.5 1000 Water 4.67 900 1000 Soil 55.2 1.8e+003 1000 Sediment 40.1 8.1e+003 0 Persistence Time: 2.92e+003 hr
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