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2-(4-sec-Butylphenoxy)-N'-[(2-isopropylphenoxy)acetyl]acetohydrazide
CCC(C)c1ccc(cc1)OCC(=O)NNC(=O)COc2ccccc2C(C)C
InChI=1S/C23H30N2O4/c1-5-17(4)18-10-12-19(13-11-18)28-14-22(26)24-25-23(27)15-29-21-9-7-6-8-20(21)16(2)3/h6-13,16-17H,5,14-15H2,1-4H3,(H,24,26)(H,25,27)
NVGYWHGUOHOMLY-UHFFFAOYSA-N
CSID:2237637, http://www.chemspider.com/Chemical-Structure.2237637.html (accessed 06:57, Apr 25, 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) = 5.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 600.87 (Adapted Stein & Brown method) Melting Pt (deg C): 259.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.9E-013 (Modified Grain method) Subcooled liquid VP: 7E-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): 0.09731 log Kow used: 5.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17.055 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.024E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.28 (KowWin est) Log Kaw used: -10.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.615 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9310 Biowin2 (Non-Linear Model) : 0.9526 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0526 (months ) Biowin4 (Primary Survey Model) : 3.2900 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2598 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0256 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): 9.33E-009 Pa (7E-011 mm Hg) Log Koa (Koawin est ): 15.615 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 321 Octanol/air (Koa) model: 1.01E+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 = 77.4450 E-12 cm3/molecule-sec Half-Life = 0.138 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.657 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 : 1.277E+005 Log Koc: 5.106 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 = 3.364 (BCF = 2311) log Kow used: 5.28 (estimated) Volatilization from Water: Henry LC: 1.13E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.034E+009 hours (4.31E+007 days) Half-Life from Model Lake : 1.128E+010 hours (4.701E+008 days) Removal In Wastewater Treatment: Total removal: 84.79 percent Total biodegradation: 0.72 percent Total sludge adsorption: 84.07 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 0.0318 3.31 1000 Water 6.04 1.44e+003 1000 Soil 60.5 2.88e+003 1000 Sediment 33.4 1.3e+004 0 Persistence Time: 3.04e+003 hr
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