N'-Cycloheptylidene-2-methylbenzohydrazide
O=C(N\N=C1\CCCCCC1)c2ccccc2C CopyCopied
InChI=1S/C15H20N2O/c1-12-8-6-7-11-14(12)15(18)17-16-13-9-4-2-3-5-10-13/h6-8,11H,2-5,9-10H2,1H3,(H,17,18) CopyCopied
NHDGMXILHAORPD-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.52 (Adapted Stein & Brown method) Melting Pt (deg C): 153.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.15E-007 (Modified Grain method) Subcooled liquid VP: 4.36E-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): 4.559 log Kow used: 4.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.74 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.58E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.516E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.39 (KowWin est) Log Kaw used: -6.190 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.580 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6859 Biowin2 (Non-Linear Model) : 0.5290 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5844 (weeks-months) Biowin4 (Primary Survey Model) : 3.4267 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1779 Biowin6 (MITI Non-Linear Model): 0.0894 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6375 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): 0.000581 Pa (4.36E-006 mm Hg) Log Koa (Koawin est ): 10.580 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00516 Octanol/air (Koa) model: 0.00933 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.157 Mackay model : 0.292 Octanol/air (Koa) model: 0.427 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.7545 E-12 cm3/molecule-sec Half-Life = 0.570 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.844 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.225 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.222E+004 Log Koc: 4.087 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 = 2.678 (BCF = 476.3) log Kow used: 4.39 (estimated) Volatilization from Water: Henry LC: 1.58E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.792E+004 hours (2414 days) Half-Life from Model Lake : 6.32E+005 hours (2.634E+004 days) Removal In Wastewater Treatment: Total removal: 50.14 percent Total biodegradation: 0.48 percent Total sludge adsorption: 49.66 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 0.0998 13.7 1000 Water 11.4 900 1000 Soil 81.8 1.8e+003 1000 Sediment 6.67 8.1e+003 0 Persistence Time: 1.71e+003 hr
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