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N-[2,6-Bis(dimethylamino)benzyl]-2,2-dimethylpropanamide
CC(C)(C)C(=O)NCc1c(cccc1N(C)C)N(C)C
InChI=1S/C16H27N3O/c1-16(2,3)15(20)17-11-12-13(18(4)5)9-8-10-14(12)19(6)7/h8-10H,11H2,1-7H3,(H,17,20)
VAIOBHJBBARZSA-UHFFFAOYSA-N
CSID:2083975, http://www.chemspider.com/Chemical-Structure.2083975.html (accessed 18:42, May 1, 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) = 2.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 409.72 (Adapted Stein & Brown method) Melting Pt (deg C): 166.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.68E-007 (Modified Grain method) Subcooled liquid VP: 4.82E-006 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): 77.45 log Kow used: 2.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2231.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.17E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.918E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.73 (KowWin est) Log Kaw used: -10.320 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.050 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2312 Biowin2 (Non-Linear Model) : 0.0120 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8102 (months ) Biowin4 (Primary Survey Model) : 2.9235 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1167 Biowin6 (MITI Non-Linear Model): 0.0040 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.0664 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): 0.000643 Pa (4.82E-006 mm Hg) Log Koa (Koawin est ): 13.050 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00467 Octanol/air (Koa) model: 2.75 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.144 Mackay model : 0.272 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 215.9798 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.594 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.208 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1884 Log Koc: 3.275 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 = 1.401 (BCF = 25.2) log Kow used: 2.73 (estimated) Volatilization from Water: Henry LC: 1.17E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.335E+008 hours (3.473E+007 days) Half-Life from Model Lake : 9.092E+009 hours (3.788E+008 days) Removal In Wastewater Treatment: Total removal: 3.95 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.84 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 7.64e-006 1.19 1000 Water 12.4 1.44e+003 1000 Soil 87.4 2.88e+003 1000 Sediment 0.169 1.3e+004 0 Persistence Time: 2.54e+003 hr
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