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- Double-bond stereo
1-Chloro-4-[(2E)-2-(1-naphthylmethylene)hydrazino]phthalazine
c1ccc2c(c1)cccc2/C=N/Nc3c4ccccc4c(nn3)Cl
InChI=1S/C19H13ClN4/c20-18-16-10-3-4-11-17(16)19(24-22-18)23-21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H,23,24)/b21-12+
KWAXYWXSEDCTCM-CIAFOILYSA-N
CSID:5259916, http://www.chemspider.com/Chemical-Structure.5259916.html (accessed 06:27, Jun 4, 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) = 4.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 530.43 (Adapted Stein & Brown method) Melting Pt (deg C): 226.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.16E-011 (Modified Grain method) Subcooled liquid VP: 4.62E-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): 0.1763 log Kow used: 4.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.86545 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.76E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.849E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.14 (KowWin est) Log Kaw used: -8.399 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.539 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4067 Biowin2 (Non-Linear Model) : 0.0234 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2571 (weeks-months) Biowin4 (Primary Survey Model) : 3.2023 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1911 Biowin6 (MITI Non-Linear Model): 0.0033 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5828 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): 6.16E-007 Pa (4.62E-009 mm Hg) Log Koa (Koawin est ): 12.539 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.87 Octanol/air (Koa) model: 0.849 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.994 Mackay model : 0.997 Octanol/air (Koa) model: 0.985 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.6118 E-12 cm3/molecule-sec Half-Life = 0.182 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.190 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.846E+005 Log Koc: 5.947 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 = 2.491 (BCF = 309.7) log Kow used: 4.14 (estimated) Volatilization from Water: Henry LC: 9.76E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.094E+007 hours (4.56E+005 days) Half-Life from Model Lake : 1.194E+008 hours (4.974E+006 days) Removal In Wastewater Treatment: Total removal: 36.84 percent Total biodegradation: 0.37 percent Total sludge adsorption: 36.46 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 0.0814 4.38 1000 Water 13.5 900 1000 Soil 82 1.8e+003 1000 Sediment 4.41 8.1e+003 0 Persistence Time: 1.44e+003 hr
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