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- Double-bond stereo
4-(Decyloxy)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylene]benzohydrazide
O=C(c1ccc(OCCCCCCCCCC)cc1)N\N=C\c2cc(OC)c(OC)c(OC)c2
InChI=1S/C27H38N2O5/c1-5-6-7-8-9-10-11-12-17-34-23-15-13-22(14-16-23)27(30)29-28-20-21-18-24(31-2)26(33-4)25(19-21)32-3/h13-16,18-20H,5-12,17H2,1-4H3,(H,29,30)/b28-20+
MWYDEEMLIASCNH-VFCFBJKWSA-N
CSID:7872232, http://www.chemspider.com/Chemical-Structure.7872232.html (accessed 17:06, Apr 24, 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) = 6.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 605.93 (Adapted Stein & Brown method) Melting Pt (deg C): 262.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.31E-013 (Modified Grain method) Subcooled liquid VP: 5.16E-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): 0.001743 log Kow used: 6.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00014228 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.50E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.654E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.79 (KowWin est) Log Kaw used: -11.513 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.303 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1596 Biowin2 (Non-Linear Model) : 0.9992 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2250 (months ) Biowin4 (Primary Survey Model) : 3.7463 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5789 Biowin6 (MITI Non-Linear Model): 0.3009 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6065 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): 6.88E-009 Pa (5.16E-011 mm Hg) Log Koa (Koawin est ): 18.303 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 436 Octanol/air (Koa) model: 4.93E+005 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 = 230.7519 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.556 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 : 9.439E+006 Log Koc: 6.975 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 = 3.031 (BCF = 1073) log Kow used: 6.79 (estimated) Volatilization from Water: Henry LC: 7.5E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.693E+010 hours (7.056E+008 days) Half-Life from Model Lake : 1.847E+011 hours (7.698E+009 days) Removal In Wastewater Treatment: Total removal: 93.73 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.95 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 0.00357 1.11 1000 Water 1.48 1.44e+003 1000 Soil 39.8 2.88e+003 1000 Sediment 58.7 1.3e+004 0 Persistence Time: 5.45e+003 hr
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