N,N'-1,2-Propanediylbis(4-methoxybenzamide)
CC(CNC(=O)c1ccc(cc1)OC)NC(=O)c2ccc(cc2)OC
InChI=1S/C19H22N2O4/c1-13(21-19(23)15-6-10-17(25-3)11-7-15)12-20-18(22)14-4-8-16(24-2)9-5-14/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
LMKOMOCFTRJGBD-UHFFFAOYSA-N
CSID:2173332, http://www.chemspider.com/Chemical-Structure.2173332.html (accessed 12:24, Apr 19, 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) = 2.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 561.45 (Adapted Stein & Brown method) Melting Pt (deg C): 241.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.37E-012 (Modified Grain method) Subcooled liquid VP: 7.38E-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): 37.86 log Kow used: 2.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 96.775 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.14E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.010E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.65 (KowWin est) Log Kaw used: -12.892 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.542 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2687 Biowin2 (Non-Linear Model) : 0.9997 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2179 (months ) Biowin4 (Primary Survey Model) : 3.9188 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4029 Biowin6 (MITI Non-Linear Model): 0.1690 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0857 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): 9.84E-008 Pa (7.38E-010 mm Hg) Log Koa (Koawin est ): 15.542 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 30.5 Octanol/air (Koa) model: 855 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 66.5258 E-12 cm3/molecule-sec Half-Life = 0.161 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.929 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 1215 Log Koc: 3.085 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 = 1.337 (BCF = 21.75) log Kow used: 2.65 (estimated) Volatilization from Water: Henry LC: 3.14E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.45E+011 hours (1.438E+010 days) Half-Life from Model Lake : 3.764E+012 hours (1.568E+011 days) Removal In Wastewater Treatment: Total removal: 3.60 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.50 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 3.34e-005 3.86 1000 Water 13.1 1.44e+003 1000 Soil 86.8 2.88e+003 1000 Sediment 0.151 1.3e+004 0 Persistence Time: 2.48e+003 hr
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