Try beta.chemspider
N,N'-1,9-Nonanediylbis(2-phenoxypropanamide)
CC(C(=O)NCCCCCCCCCNC(=O)C(C)Oc1ccccc1)Oc2ccccc2
InChI=1S/C27H38N2O4/c1-22(32-24-16-10-8-11-17-24)26(30)28-20-14-6-4-3-5-7-15-21-29-27(31)23(2)33-25-18-12-9-13-19-25/h8-13,16-19,22-23H,3-7,14-15,20-21H2,1-2H3,(H,28,30)(H,29,31)
JOHOCDJJVKPRPH-UHFFFAOYSA-N
CSID:4229380, http://www.chemspider.com/Chemical-Structure.4229380.html (accessed 10:57, Apr 23, 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) = 6.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 647.30 (Adapted Stein & Brown method) Melting Pt (deg C): 281.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.16E-015 (Modified Grain method) Subcooled liquid VP: 4.22E-012 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): 0.01054 log Kow used: 6.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.13112 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.07E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.496E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.00 (KowWin est) Log Kaw used: -11.072 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.072 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.4714 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0139 (months ) Biowin4 (Primary Survey Model) : 3.7667 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4298 Biowin6 (MITI Non-Linear Model): 0.2184 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7185 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): 5.63E-010 Pa (4.22E-012 mm Hg) Log Koa (Koawin est ): 17.072 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.33E+003 Octanol/air (Koa) model: 2.9E+004 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 = 92.1315 E-12 cm3/molecule-sec Half-Life = 0.116 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.393 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 : 1.011E+006 Log Koc: 6.005 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 = 2.917 (BCF = 826.9) log Kow used: 6.00 (estimated) Volatilization from Water: Henry LC: 2.07E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.031E+009 hours (2.513E+008 days) Half-Life from Model Lake : 6.579E+010 hours (2.741E+009 days) Removal In Wastewater Treatment: Total removal: 92.15 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.39 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 0.0262 2.79 1000 Water 2.89 1.44e+003 1000 Soil 40.1 2.88e+003 1000 Sediment 56.9 1.3e+004 0 Persistence Time: 4.02e+003 hr
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