Try beta.chemspider
N,N'-1,3-Propanediylbis[2-(4-ethylphenoxy)acetamide]
CCc1ccc(cc1)OCC(=O)NCCCNC(=O)COc2ccc(cc2)CC
InChI=1S/C23H30N2O4/c1-3-18-6-10-20(11-7-18)28-16-22(26)24-14-5-15-25-23(27)17-29-21-12-8-19(4-2)9-13-21/h6-13H,3-5,14-17H2,1-2H3,(H,24,26)(H,25,27)
RCQOLBWJHVXVAV-UHFFFAOYSA-N
CSID:3964567, http://www.chemspider.com/Chemical-Structure.3964567.html (accessed 11:27, 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
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 614.86 (Adapted Stein & Brown method) Melting Pt (deg C): 266.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.8E-014 (Modified Grain method) Subcooled liquid VP: 3.01E-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): 0.6764 log Kow used: 4.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.0724 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.61E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.271E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.29 (KowWin est) Log Kaw used: -11.725 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.015 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3513 Biowin2 (Non-Linear Model) : 0.9998 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9442 (months ) Biowin4 (Primary Survey Model) : 3.7008 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3726 Biowin6 (MITI Non-Linear Model): 0.1593 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9798 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): 4.01E-009 Pa (3.01E-011 mm Hg) Log Koa (Koawin est ): 16.015 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 748 Octanol/air (Koa) model: 2.54E+003 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 = 84.9795 E-12 cm3/molecule-sec Half-Life = 0.126 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.510 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 : 9.205E+004 Log Koc: 4.964 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 = 2.605 (BCF = 402.4) log Kow used: 4.29 (estimated) Volatilization from Water: Henry LC: 4.61E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.535E+010 hours (1.056E+009 days) Half-Life from Model Lake : 2.766E+011 hours (1.152E+010 days) Removal In Wastewater Treatment: Total removal: 44.73 percent Total biodegradation: 0.44 percent Total sludge adsorption: 44.29 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 0.00971 3.02 1000 Water 8.63 1.44e+003 1000 Soil 86.2 2.88e+003 1000 Sediment 5.21 1.3e+004 0 Persistence Time: 2.76e+003 hr
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