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2-(2-Isopropyl-5-methylphenoxy)-N'-[(4-propylphenoxy)acetyl]acetohydrazide
CCCc1ccc(cc1)OCC(=O)NNC(=O)COc2cc(ccc2C(C)C)C
InChI=1S/C23H30N2O4/c1-5-6-18-8-10-19(11-9-18)28-14-22(26)24-25-23(27)15-29-21-13-17(4)7-12-20(21)16(2)3/h7-13,16H,5-6,14-15H2,1-4H3,(H,24,26)(H,25,27)
BVKVGHOJGODMRY-UHFFFAOYSA-N
CSID:1286488, http://www.chemspider.com/Chemical-Structure.1286488.html (accessed 03:33, Apr 26, 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) = 5.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 607.86 (Adapted Stein & Brown method) Melting Pt (deg C): 262.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.14E-013 (Modified Grain method) Subcooled liquid VP: 4.6E-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): 0.0754 log Kow used: 5.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.454 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.40E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.928E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.41 (KowWin est) Log Kaw used: -10.415 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.825 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9857 Biowin2 (Non-Linear Model) : 0.9728 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9777 (months ) Biowin4 (Primary Survey Model) : 3.2214 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2729 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2116 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): 6.13E-009 Pa (4.6E-011 mm Hg) Log Koa (Koawin est ): 15.825 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 489 Octanol/air (Koa) model: 1.64E+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 = 118.1757 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.086 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 : 1.251E+005 Log Koc: 5.097 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 = 3.464 (BCF = 2909) log Kow used: 5.41 (estimated) Volatilization from Water: Henry LC: 9.4E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.243E+009 hours (5.181E+007 days) Half-Life from Model Lake : 1.356E+010 hours (5.652E+008 days) Removal In Wastewater Treatment: Total removal: 87.04 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.30 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 0.025 2.17 1000 Water 5.52 1.44e+003 1000 Soil 54.7 2.88e+003 1000 Sediment 39.7 1.3e+004 0 Persistence Time: 3.08e+003 hr
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