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4,4'-(1,2-Hydrazinediyl)bis(N-butylbenzamide)
CCCCNC(=O)c1ccc(cc1)NNc2ccc(cc2)C(=O)NCCCC
InChI=1S/C22H30N4O2/c1-3-5-15-23-21(27)17-7-11-19(12-8-17)25-26-20-13-9-18(10-14-20)22(28)24-16-6-4-2/h7-14,25-26H,3-6,15-16H2,1-2H3,(H,23,27)(H,24,28)
HIRVZBMXGJTBPJ-UHFFFAOYSA-N
CSID:20701597, http://www.chemspider.com/Chemical-Structure.20701597.html (accessed 12:46, Jun 16, 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) = 4.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 622.54 (Adapted Stein & Brown method) Melting Pt (deg C): 269.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.86E-014 (Modified Grain method) Subcooled liquid VP: 1.9E-011 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): 0.6537 log Kow used: 4.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36.02 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.10E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.972E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.42 (KowWin est) Log Kaw used: -14.897 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.317 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2026 Biowin2 (Non-Linear Model) : 0.9987 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8421 (weeks ) Biowin4 (Primary Survey Model) : 4.2449 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1825 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7018 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): 2.53E-009 Pa (1.9E-011 mm Hg) Log Koa (Koawin est ): 19.317 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.18E+003 Octanol/air (Koa) model: 5.09E+006 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 = 103.6518 E-12 cm3/molecule-sec Half-Life = 0.103 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.238 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 : 2.803E+004 Log Koc: 4.448 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 = 2.707 (BCF = 509.3) log Kow used: 4.42 (estimated) Volatilization from Water: Henry LC: 3.1E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.694E+013 hours (1.539E+012 days) Half-Life from Model Lake : 4.03E+014 hours (1.679E+013 days) Removal In Wastewater Treatment: Total removal: 51.76 percent Total biodegradation: 0.49 percent Total sludge adsorption: 51.27 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 4.56e-005 2.48 1000 Water 15 360 1000 Soil 80.3 720 1000 Sediment 4.79 3.24e+003 0 Persistence Time: 819 hr
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