Try beta.chemspider
N,N,N'-Trimethyl-1,2-ethanediamine
CNCCN(C)C
InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
HVOYZOQVDYHUPF-UHFFFAOYSA-N
CSID:60669, http://www.chemspider.com/Chemical-Structure.60669.html (accessed 23:47, Jul 6, 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) = -0.48 Log Kow (Exper. database match) = -0.20 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 116.17 (Adapted Stein & Brown method) Melting Pt (deg C): -43.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 17.9 (Mean VP of Antoine & Grain methods) BP (exp database): 117 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -0.20 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-008 atm-m3/mole Group Method: 7.92E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.407E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.20 (exp database) Log Kaw used: -6.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.147 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6475 Biowin2 (Non-Linear Model) : 0.6094 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7430 (weeks-months) Biowin4 (Primary Survey Model) : 3.4556 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4567 Biowin6 (MITI Non-Linear Model): 0.3473 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2482 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): 2.23E+003 Pa (16.7 mm Hg) Log Koa (Koawin est ): 6.147 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.35E-009 Octanol/air (Koa) model: 3.44E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.87E-008 Mackay model : 1.08E-007 Octanol/air (Koa) model: 2.75E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 154.1625 E-12 cm3/molecule-sec Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.833 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.82E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 55.12 Log Koc: 1.741 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: -0.20 (expkow database) Volatilization from Water: Henry LC: 7.92E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 7.473E+004 hours (3114 days) Half-Life from Model Lake : 8.153E+005 hours (3.397E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.0616 1.67 1000 Water 49.4 900 1000 Soil 50.4 1.8e+003 1000 Sediment 0.0954 8.1e+003 0 Persistence Time: 751 hr
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