4,4'-[1,3-Propanediylbis(oxy)]bis(3-methoxybenzenecarboximidamide)
[H]/N=C(\N)/c1cc(c(cc1)OCCCOc2c(cc(cc2)/C(=N/[H])/N)OC)OC
InChI=1S/C19H24N4O4/c1-24-16-10-12(18(20)21)4-6-14(16)26-8-3-9-27-15-7-5-13(19(22)23)11-17(15)25-2/h4-7,10-11H,3,8-9H2,1-2H3,(H3,20,21)(H3,22,23)
YBEQGLWWCCCCRA-UHFFFAOYSA-N
CSID:65364, http://www.chemspider.com/Chemical-Structure.65364.html (accessed 19:21, Mar 28, 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) = 0.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 531.33 (Adapted Stein & Brown method) Melting Pt (deg C): 227.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.96E-011 (Modified Grain method) Subcooled liquid VP: 4.39E-009 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): 714.7 log Kow used: 0.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.5423 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.87E-020 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.030E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.94 (KowWin est) Log Kaw used: -17.394 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.334 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0979 Biowin2 (Non-Linear Model) : 0.9988 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1437 (months ) Biowin4 (Primary Survey Model) : 3.6189 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5835 Biowin6 (MITI Non-Linear Model): 0.2917 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8944 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): 5.85E-007 Pa (4.39E-009 mm Hg) Log Koa (Koawin est ): 18.334 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.13 Octanol/air (Koa) model: 5.3E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 141.5977 E-12 cm3/molecule-sec Half-Life = 0.076 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.906 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.499E+005 Log Koc: 5.978 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 = 0.500 (BCF = 3.162) log Kow used: 0.94 (estimated) Volatilization from Water: Henry LC: 9.87E-020 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.145E+016 hours (4.77E+014 days) Half-Life from Model Lake : 1.249E+017 hours (5.204E+015 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 3.23e-010 1.81 1000 Water 43.9 1.44e+003 1000 Soil 56 2.88e+003 1000 Sediment 0.0929 1.3e+004 0 Persistence Time: 1.27e+003 hr
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