- Double-bond stereo
N'-[(1E)-1-(5,6,7,8-Tetrahydro-2-naphthalenyl)ethylidene]-2-[4-(2,4,4-trimethyl-2-pentanyl)phenoxy]acetohydrazide
O=C(N\N=C(\c1ccc2c(c1)CCCC2)C)COc3ccc(cc3)C(C)(C)CC(C)(C)C
InChI=1S/C28H38N2O2/c1-20(22-12-11-21-9-7-8-10-23(21)17-22)29-30-26(31)18-32-25-15-13-24(14-16-25)28(5,6)19-27(2,3)4/h11-17H,7-10,18-19H2,1-6H3,(H,30,31)/b29-20+
ZNGJLMGSWJEHHM-ZTKZIYFRSA-N
CSID:7872975, http://www.chemspider.com/Chemical-Structure.7872975.html (accessed 06:00, Apr 18, 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) = 9.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 557.01 (Adapted Stein & Brown method) Melting Pt (deg C): 239.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.65E-012 (Modified Grain method) Subcooled liquid VP: 9.61E-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): 1.933e-005 log Kow used: 9.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00068559 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.95E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.376E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.35 (KowWin est) Log Kaw used: -6.098 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.448 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3047 Biowin2 (Non-Linear Model) : 0.0126 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7563 (months ) Biowin4 (Primary Survey Model) : 2.9909 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0188 Biowin6 (MITI Non-Linear Model): 0.0044 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1622 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): 1.28E-007 Pa (9.61E-010 mm Hg) Log Koa (Koawin est ): 15.448 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 23.4 Octanol/air (Koa) model: 689 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 259.8611 E-12 cm3/molecule-sec Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.635 Min Ozone Reaction: OVERALL Ozone Rate Constant = 8.203750 E-17 cm3/molecule-sec Half-Life = 0.140 Days (at 7E11 mol/cm3) Half-Life = 3.353 Hrs Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.812E+006 Log Koc: 6.945 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 = 1.592 (BCF = 39.12) log Kow used: 9.35 (estimated) Volatilization from Water: Henry LC: 1.95E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.26E+004 hours (2608 days) Half-Life from Model Lake : 6.831E+005 hours (2.846E+004 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.00744 0.763 1000 Water 1.38 1.44e+003 1000 Soil 30.1 2.88e+003 1000 Sediment 68.5 1.3e+004 0 Persistence Time: 4.72e+003 hr
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