N,N-Diethyl-2,4,4-trimethyl-2-pentanamine
CCN(CC)C(C)(C)CC(C)(C)C
InChI=1S/C12H27N/c1-8-13(9-2)12(6,7)10-11(3,4)5/h8-10H2,1-7H3
FLAJMNUEEZPQCV-UHFFFAOYSA-N
CSID:2588377, http://www.chemspider.com/Chemical-Structure.2588377.html (accessed 21:57, Dec 2, 2023)
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) = 4.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.06 (Adapted Stein & Brown method) Melting Pt (deg C): -8.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.754 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 127.3 log Kow used: 4.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 293.01 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.68E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.445E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.24 (KowWin est) Log Kaw used: -1.718 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.958 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0862 Biowin2 (Non-Linear Model) : 0.0050 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1105 (months ) Biowin4 (Primary Survey Model) : 2.9854 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3622 Biowin6 (MITI Non-Linear Model): 0.1912 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3863 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): 91.5 Pa (0.686 mm Hg) Log Koa (Koawin est ): 5.958 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.28E-008 Octanol/air (Koa) model: 2.23E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.18E-006 Mackay model : 2.62E-006 Octanol/air (Koa) model: 1.78E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 85.9564 E-12 cm3/molecule-sec Half-Life = 0.124 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.493 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.9E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1976 Log Koc: 3.296 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 = 2.562 (BCF = 364.7) log Kow used: 4.24 (estimated) Volatilization from Water: Henry LC: 0.000468 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.093 hours Half-Life from Model Lake : 147.9 hours (6.162 days) Removal In Wastewater Treatment: Total removal: 49.68 percent Total biodegradation: 0.37 percent Total sludge adsorption: 39.28 percent Total to Air: 10.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.145 2.99 1000 Water 7.21 1.44e+003 1000 Soil 88.8 2.88e+003 1000 Sediment 3.86 1.3e+004 0 Persistence Time: 1.48e+003 hr
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