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- Double-bond stereo
N'-[(E)-Phenylmethylene]-2-[4-(2,4,4-trimethyl-2-pentanyl)phenoxy]acetohydrazide
O=C(N/N=C/c1ccccc1)COc2ccc(cc2)C(C)(C)CC(C)(C)C
InChI=1S/C23H30N2O2/c1-22(2,3)17-23(4,5)19-11-13-20(14-12-19)27-16-21(26)25-24-15-18-9-7-6-8-10-18/h6-15H,16-17H2,1-5H3,(H,25,26)/b24-15+
KBJNMVSDVYMSER-BUVRLJJBSA-N
CSID:5281667, http://www.chemspider.com/Chemical-Structure.5281667.html (accessed 15:14, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 500.18 (Adapted Stein & Brown method) Melting Pt (deg C): 212.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.74E-010 (Modified Grain method) Subcooled liquid VP: 2.72E-008 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): 0.01777 log Kow used: 6.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.079086 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.93E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.436E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.37 (KowWin est) Log Kaw used: -7.615 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.985 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4652 Biowin2 (Non-Linear Model) : 0.1687 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9289 (months ) Biowin4 (Primary Survey Model) : 3.0941 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1173 Biowin6 (MITI Non-Linear Model): 0.0257 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6078 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): 3.63E-006 Pa (2.72E-008 mm Hg) Log Koa (Koawin est ): 13.985 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.827 Octanol/air (Koa) model: 23.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.968 Mackay model : 0.985 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 44.3861 E-12 cm3/molecule-sec Half-Life = 0.241 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.892 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.976 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.912E+005 Log Koc: 5.898 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 = 4.207 (BCF = 1.61e+004) log Kow used: 6.37 (estimated) Volatilization from Water: Henry LC: 5.93E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.89E+006 hours (7.876E+004 days) Half-Life from Model Lake : 2.062E+007 hours (8.592E+005 days) Removal In Wastewater Treatment: Total removal: 93.23 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.45 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 0.0274 5.78 1000 Water 1.92 1.44e+003 1000 Soil 40.2 2.88e+003 1000 Sediment 57.9 1.3e+004 0 Persistence Time: 4.92e+003 hr
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