- Non-standard isotope
2-(Dimethylamino)(1-14C)ethanol
CN(C)CCO CopyCopied
InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3/i4+2 CopyCopied
UEEJHVSXFDXPFK-DOMIDYPGSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 136.32 (Adapted Stein & Brown method) Melting Pt (deg C): -39.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.28 (Mean VP of Antoine & Grain methods) MP (exp database): -59 deg C BP (exp database): 134 deg C VP (exp database): 3.18E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -0.94 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L ( deg C) Exper. Ref: HANN,RWJR & JENSEN,PA (1977) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: HANN,RWJR & JENSEN,PA (1977) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.77E-009 atm-m3/mole Group Method: 1.77E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.847E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.94 (KowWin est) Log Kaw used: -7.140 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.200 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6586 Biowin2 (Non-Linear Model) : 0.6543 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9074 (weeks ) Biowin4 (Primary Survey Model) : 3.5606 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6229 Biowin6 (MITI Non-Linear Model): 0.7339 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2132 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 424 Pa (3.18 mm Hg) Log Koa (Koawin est ): 6.200 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.08E-009 Octanol/air (Koa) model: 3.89E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.56E-007 Mackay model : 5.66E-007 Octanol/air (Koa) model: 3.11E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 83.3745 E-12 cm3/molecule-sec Half-Life = 0.128 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.539 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.11E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.602 Log Koc: 0.205 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: -0.94 (estimated) Volatilization from Water: Henry LC: 1.77E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.123E+005 hours (1.301E+004 days) Half-Life from Model Lake : 3.407E+006 hours (1.42E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.0376 2.85 1000 Water 39.8 360 1000 Soil 60.1 720 1000 Sediment 0.0728 3.24e+003 0 Persistence Time: 544 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 136.32 (Adapted Stein & Brown method) Melting Pt (deg C): -39.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.28 (Mean VP of Antoine & Grain methods) MP (exp database): -59 deg C BP (exp database): 134 deg C VP (exp database): 3.18E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -0.94 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L ( deg C) Exper. Ref: HANN,RWJR & JENSEN,PA (1977) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: HANN,RWJR & JENSEN,PA (1977) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.77E-009 atm-m3/mole Group Method: 1.77E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.847E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.94 (KowWin est) Log Kaw used: -7.140 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.200 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6586 Biowin2 (Non-Linear Model) : 0.6543 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9074 (weeks ) Biowin4 (Primary Survey Model) : 3.5606 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6229 Biowin6 (MITI Non-Linear Model): 0.7339 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2132 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 424 Pa (3.18 mm Hg) Log Koa (Koawin est ): 6.200 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.08E-009 Octanol/air (Koa) model: 3.89E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.56E-007 Mackay model : 5.66E-007 Octanol/air (Koa) model: 3.11E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 83.3745 E-12 cm3/molecule-sec Half-Life = 0.128 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.539 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.11E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.602 Log Koc: 0.205 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: -0.94 (estimated) Volatilization from Water: Henry LC: 1.77E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.123E+005 hours (1.301E+004 days) Half-Life from Model Lake : 3.407E+006 hours (1.42E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.0376 2.85 1000 Water 39.8 360 1000 Soil 60.1 720 1000 Sediment 0.0728 3.24e+003 0 Persistence Time: 544 hr
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