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- Double-bond stereo
4-[(E)-(1-Phthalazinylhydrazono)methyl]-N,N-dipropylaniline
CCCN(CCC)c1ccc(cc1)/C=N/Nc2c3ccccc3cnn2
InChI=1S/C21H25N5/c1-3-13-26(14-4-2)19-11-9-17(10-12-19)15-22-24-21-20-8-6-5-7-18(20)16-23-25-21/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,24,25)/b22-15+
IDAKWGIMQOCBRM-PXLXIMEGSA-N
CSID:5259542, http://www.chemspider.com/Chemical-Structure.5259542.html (accessed 22:43, Jun 3, 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) = 4.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 521.74 (Adapted Stein & Brown method) Melting Pt (deg C): 222.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.9E-011 (Modified Grain method) Subcooled liquid VP: 7.71E-009 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): 0.9857 log Kow used: 4.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.6785 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.06E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.737E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.47 (KowWin est) Log Kaw used: -10.363 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.833 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3769 Biowin2 (Non-Linear Model) : 0.0155 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1765 (months ) Biowin4 (Primary Survey Model) : 3.0584 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1437 Biowin6 (MITI Non-Linear Model): 0.0052 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1197 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): 1.03E-006 Pa (7.71E-009 mm Hg) Log Koa (Koawin est ): 14.833 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.92 Octanol/air (Koa) model: 167 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 246.0554 E-12 cm3/molecule-sec Half-Life = 0.043 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.522 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.792E+005 Log Koc: 5.446 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 = 2.739 (BCF = 547.7) log Kow used: 4.47 (estimated) Volatilization from Water: Henry LC: 1.06E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.03E+009 hours (4.29E+007 days) Half-Life from Model Lake : 1.123E+010 hours (4.68E+008 days) Removal In Wastewater Treatment: Total removal: 54.44 percent Total biodegradation: 0.51 percent Total sludge adsorption: 53.93 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 0.000774 1.04 1000 Water 7.86 1.44e+003 1000 Soil 84.9 2.88e+003 1000 Sediment 7.24 1.3e+004 0 Persistence Time: 3.02e+003 hr
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