N,N-dimethylethanamine
CN(C)C[CH2]
InChI=1S/C4H10N/c1-4-5(2)3/h1,4H2,2-3H3
FNFHCVOJGMHSBG-UHFFFAOYSA-N
CSID:10745724, http://www.chemspider.com/Chemical-Structure.10745724.html (accessed 09:18, Dec 9, 2023)
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) = 0.53 Log Kow (Exper. database match) = 0.70 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 45.28 (Adapted Stein & Brown method) Melting Pt (deg C): -96.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 493 (Mean VP of Antoine & Grain methods) MP (exp database): -140 deg C BP (exp database): 36.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.451e+005 log Kow used: 0.70 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7745e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.85E-005 atm-m3/mole Group Method: 1.54E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.375E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.70 (exp database) Log Kaw used: -2.703 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.403 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5075 Biowin2 (Non-Linear Model) : 0.4371 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7827 (weeks ) Biowin4 (Primary Survey Model) : 3.4542 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4604 Biowin6 (MITI Non-Linear Model): 0.5156 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4515 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): 6.56E+004 Pa (492 mm Hg) Log Koa (Koawin est ): 3.403 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.57E-011 Octanol/air (Koa) model: 6.21E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.65E-009 Mackay model : 3.66E-009 Octanol/air (Koa) model: 4.97E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 77.3831 E-12 cm3/molecule-sec Half-Life = 0.138 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.659 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.66E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 28.71 Log Koc: 1.458 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 = 0.500 (BCF = 3.162) log Kow used: 0.70 (expkow database) Volatilization from Water: Henry LC: 0.000154 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.124 hours Half-Life from Model Lake : 116.7 hours (4.863 days) Removal In Wastewater Treatment: Total removal: 8.84 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.67 percent Total to Air: 7.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.41 3.32 1000 Water 51.9 360 1000 Soil 46.6 720 1000 Sediment 0.0994 3.24e+003 0 Persistence Time: 198 hr
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