2-(2-Cyclododecylidenehydrazino)-2-oxo-N-(2-pyridinylmethyl)acetamide
c1ccnc(c1)CNC(=O)C(=O)NN=C2CCCCCCCCCCC2
InChI=1S/C20H30N4O2/c25-19(22-16-18-14-10-11-15-21-18)20(26)24-23-17-12-8-6-4-2-1-3-5-7-9-13-17/h10-11,14-15H,1-9,12-13,16H2,(H,22,25)(H,24,26)
BTLKPAVGSVUETA-UHFFFAOYSA-N
CSID:2367874, http://www.chemspider.com/Chemical-Structure.2367874.html (accessed 04:42, Apr 20, 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) = 4.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 588.14 (Adapted Stein & Brown method) Melting Pt (deg C): 253.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.83E-013 (Modified Grain method) Subcooled liquid VP: 1.5E-010 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): 8.249 log Kow used: 4.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 25359 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.84E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.762E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.83 (KowWin est) Log Kaw used: -11.395 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.225 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6325 Biowin2 (Non-Linear Model) : 0.2634 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1386 (months ) Biowin4 (Primary Survey Model) : 3.5172 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0671 Biowin6 (MITI Non-Linear Model): 0.0117 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7999 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): 2E-008 Pa (1.5E-010 mm Hg) Log Koa (Koawin est ): 16.225 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 150 Octanol/air (Koa) model: 4.12E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.2923 E-12 cm3/molecule-sec Half-Life = 0.342 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.102 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.598E+004 Log Koc: 4.881 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 = 3.019 (BCF = 1044) log Kow used: 4.83 (estimated) Volatilization from Water: Henry LC: 9.84E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.127E+010 hours (4.694E+008 days) Half-Life from Model Lake : 1.229E+011 hours (5.121E+009 days) Removal In Wastewater Treatment: Total removal: 71.60 percent Total biodegradation: 0.64 percent Total sludge adsorption: 70.96 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 0.00397 8.2 1000 Water 6.85 1.44e+003 1000 Soil 78.8 2.88e+003 1000 Sediment 14.3 1.3e+004 0 Persistence Time: 3.28e+003 hr
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