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- Double-bond stereo
2-Cyano-N'-[(1E)-3,4-dihydro-1(2H)-naphthalenylidene]acetohydrazide
N#CCC(=O)N/N=C2/c1c(cccc1)CCC2
InChI=1S/C13H13N3O/c14-9-8-13(17)16-15-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6H,3,5,7-8H2,(H,16,17)/b15-12+
UFCUKFYFFKYVEP-NTCAYCPXSA-N
CSID:7929974, http://www.chemspider.com/Chemical-Structure.7929974.html (accessed 21:54, 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) = 3.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 431.68 (Adapted Stein & Brown method) Melting Pt (deg C): 173.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.07E-008 (Modified Grain method) Subcooled liquid VP: 1.39E-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): 30.62 log Kow used: 3.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1998.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.59E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.975E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.22 (KowWin est) Log Kaw used: -10.454 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.674 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0010 Biowin2 (Non-Linear Model) : 0.9933 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5397 (weeks-months) Biowin4 (Primary Survey Model) : 3.3861 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1737 Biowin6 (MITI Non-Linear Model): 0.0729 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1185 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): 0.000185 Pa (1.39E-006 mm Hg) Log Koa (Koawin est ): 13.674 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0162 Octanol/air (Koa) model: 11.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.369 Mackay model : 0.564 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.4205 E-12 cm3/molecule-sec Half-Life = 0.694 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.323 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.467 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3220 Log Koc: 3.508 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 = 1.777 (BCF = 59.82) log Kow used: 3.22 (estimated) Volatilization from Water: Henry LC: 8.59E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.028E+009 hours (4.281E+007 days) Half-Life from Model Lake : 1.121E+010 hours (4.671E+008 days) Removal In Wastewater Treatment: Total removal: 8.06 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.92 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 1.14e-005 16.6 1000 Water 12.2 900 1000 Soil 87.4 1.8e+003 1000 Sediment 0.457 8.1e+003 0 Persistence Time: 1.81e+003 hr
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