2-(1-Naphthyl)-N'-(1-propyl-4-piperidinylidene)acetohydrazide
CCCN1CCC(=NNC(=O)Cc2cccc3c2cccc3)CC1
InChI=1S/C20H25N3O/c1-2-12-23-13-10-18(11-14-23)21-22-20(24)15-17-8-5-7-16-6-3-4-9-19(16)17/h3-9H,2,10-15H2,1H3,(H,22,24)
CQCWSPPTIWAWTJ-UHFFFAOYSA-N
CSID:3300882, http://www.chemspider.com/Chemical-Structure.3300882.html (accessed 05:24, Apr 18, 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) = 4.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 506.53 (Adapted Stein & Brown method) Melting Pt (deg C): 215.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.75E-010 (Modified Grain method) Subcooled liquid VP: 1.88E-008 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): 2.003 log Kow used: 4.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21.787 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.13E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.718E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.27 (KowWin est) Log Kaw used: -11.060 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.330 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4430 Biowin2 (Non-Linear Model) : 0.0381 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1548 (months ) Biowin4 (Primary Survey Model) : 3.0246 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1549 Biowin6 (MITI Non-Linear Model): 0.0060 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5362 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): 2.51E-006 Pa (1.88E-008 mm Hg) Log Koa (Koawin est ): 15.330 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.2 Octanol/air (Koa) model: 525 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.977 Mackay model : 0.99 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 162.0675 E-12 cm3/molecule-sec Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.792 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.984 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.917E+005 Log Koc: 5.692 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 = 2.590 (BCF = 389.4) log Kow used: 4.27 (estimated) Volatilization from Water: Henry LC: 2.13E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.943E+009 hours (2.06E+008 days) Half-Life from Model Lake : 5.393E+010 hours (2.247E+009 days) Removal In Wastewater Treatment: Total removal: 43.65 percent Total biodegradation: 0.43 percent Total sludge adsorption: 43.22 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 6.57e-005 1.58 1000 Water 8.12 1.44e+003 1000 Soil 87.2 2.88e+003 1000 Sediment 4.67 1.3e+004 0 Persistence Time: 3e+003 hr
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