Try beta.chemspider
2-(1-Azocanyl)-N-(2,6-diisopropylphenyl)acetamide
O=C(Nc1c(cccc1C(C)C)C(C)C)CN2CCCCCCC2
InChI=1S/C21H34N2O/c1-16(2)18-11-10-12-19(17(3)4)21(18)22-20(24)15-23-13-8-6-5-7-9-14-23/h10-12,16-17H,5-9,13-15H2,1-4H3,(H,22,24)
MXPRECNSISMSLV-UHFFFAOYSA-N
CSID:6880067, http://www.chemspider.com/Chemical-Structure.6880067.html (accessed 18:56, 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) = 4.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 467.01 (Adapted Stein & Brown method) Melting Pt (deg C): 197.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.85E-009 (Modified Grain method) Subcooled liquid VP: 1.85E-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): 0.6001 log Kow used: 4.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.761 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.20E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.065E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.84 (KowWin est) Log Kaw used: -7.765 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.605 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7044 Biowin2 (Non-Linear Model) : 0.4845 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0101 (months ) Biowin4 (Primary Survey Model) : 3.1513 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0351 Biowin6 (MITI Non-Linear Model): 0.0194 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3881 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): 2.47E-005 Pa (1.85E-007 mm Hg) Log Koa (Koawin est ): 12.605 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.122 Octanol/air (Koa) model: 0.989 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.815 Mackay model : 0.907 Octanol/air (Koa) model: 0.988 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 123.4775 E-12 cm3/molecule-sec Half-Life = 0.087 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.039 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.861 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.888E+004 Log Koc: 4.770 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 = 3.024 (BCF = 1058) log Kow used: 4.84 (estimated) Volatilization from Water: Henry LC: 4.2E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.534E+006 hours (1.056E+005 days) Half-Life from Model Lake : 2.765E+007 hours (1.152E+006 days) Removal In Wastewater Treatment: Total removal: 72.00 percent Total biodegradation: 0.64 percent Total sludge adsorption: 71.36 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 0.00965 2.08 1000 Water 7.41 1.44e+003 1000 Soil 76.7 2.88e+003 1000 Sediment 15.9 1.3e+004 0 Persistence Time: 2.95e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight