Try beta.chemspider
2,2'-Oxybis(N-heptyl-N-methylacetamide)
CCCCCCCN(C)C(=O)COCC(=O)N(C)CCCCCCC
InChI=1S/C20H40N2O3/c1-5-7-9-11-13-15-21(3)19(23)17-25-18-20(24)22(4)16-14-12-10-8-6-2/h5-18H2,1-4H3
PGVCFUIIPXUWIX-UHFFFAOYSA-N
CSID:4227808, http://www.chemspider.com/Chemical-Structure.4227808.html (accessed 01:17, May 29, 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) = 4.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 457.92 (Adapted Stein & Brown method) Melting Pt (deg C): 181.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.3E-009 (Modified Grain method) Subcooled liquid VP: 3.12E-007 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): 1.203 log Kow used: 4.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 51.998 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.847E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.30 (KowWin est) Log Kaw used: -7.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.647 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8676 Biowin2 (Non-Linear Model) : 0.9730 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8908 (weeks ) Biowin4 (Primary Survey Model) : 4.2726 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5996 Biowin6 (MITI Non-Linear Model): 0.4969 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1468 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.16E-005 Pa (3.12E-007 mm Hg) Log Koa (Koawin est ): 11.647 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0721 Octanol/air (Koa) model: 0.109 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.723 Mackay model : 0.852 Octanol/air (Koa) model: 0.897 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.0182 E-12 cm3/molecule-sec Half-Life = 0.170 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.037 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.787 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4294 Log Koc: 3.633 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 = 1.611 (BCF = 40.83) log Kow used: 4.30 (estimated) Volatilization from Water: Henry LC: 1.1E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.005E+006 hours (4.188E+004 days) Half-Life from Model Lake : 1.096E+007 hours (4.568E+005 days) Removal In Wastewater Treatment: Total removal: 45.27 percent Total biodegradation: 0.44 percent Total sludge adsorption: 44.83 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 0.0655 4.07 1000 Water 16.5 360 1000 Soil 79.3 720 1000 Sediment 4.07 3.24e+003 0 Persistence Time: 727 hr
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