Try beta.chemspider
2-[2-(Hexyloxy)ethoxy]-N,N-dipropylacetamide
CCCCCCOCCOCC(=O)N(CCC)CCC
InChI=1S/C16H33NO3/c1-4-7-8-9-12-19-13-14-20-15-16(18)17(10-5-2)11-6-3/h4-15H2,1-3H3
YIFXFKZFEZLKTR-UHFFFAOYSA-N
CSID:505731, http://www.chemspider.com/Chemical-Structure.505731.html (accessed 20:08, Apr 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) = 3.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 367.83 (Adapted Stein & Brown method) Melting Pt (deg C): 119.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.76E-006 (Modified Grain method) Subcooled liquid VP: 4.96E-005 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): 18.77 log Kow used: 3.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 372.07 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.89E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.161E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.38 (KowWin est) Log Kaw used: -7.440 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.820 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2346 Biowin2 (Non-Linear Model) : 0.0324 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7907 (weeks ) Biowin4 (Primary Survey Model) : 3.8880 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5808 Biowin6 (MITI Non-Linear Model): 0.5278 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4909 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): 0.00661 Pa (4.96E-005 mm Hg) Log Koa (Koawin est ): 10.820 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000454 Octanol/air (Koa) model: 0.0162 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0161 Mackay model : 0.035 Octanol/air (Koa) model: 0.565 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.5120 E-12 cm3/molecule-sec Half-Life = 0.177 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.121 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0256 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 167.1 Log Koc: 2.223 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 = 1.904 (BCF = 80.25) log Kow used: 3.38 (estimated) Volatilization from Water: Henry LC: 8.89E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.117E+006 hours (4.652E+004 days) Half-Life from Model Lake : 1.218E+007 hours (5.075E+005 days) Removal In Wastewater Treatment: Total removal: 10.58 percent Total biodegradation: 0.16 percent Total sludge adsorption: 10.41 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 0.0152 4.24 1000 Water 16.6 360 1000 Soil 82.8 720 1000 Sediment 0.578 3.24e+003 0 Persistence Time: 763 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight