N,N,3,5-Tetramethylaniline
Cc1cc(cc(c1)N(C)C)C
InChI=1S/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3
NBFRQCOZERNGEX-UHFFFAOYSA-N
CSID:70982, http://www.chemspider.com/Chemical-Structure.70982.html (accessed 14:43, Apr 16, 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) = 3.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 210.08 (Adapted Stein & Brown method) Melting Pt (deg C): 11.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.217 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 124.4 log Kow used: 3.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 610.17 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.04E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.425E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.27 (KowWin est) Log Kaw used: -2.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.641 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5806 Biowin2 (Non-Linear Model) : 0.4553 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4649 (weeks-months) Biowin4 (Primary Survey Model) : 3.2074 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2917 Biowin6 (MITI Non-Linear Model): 0.1668 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4277 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): 26.7 Pa (0.2 mm Hg) Log Koa (Koawin est ): 5.641 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.12E-007 Octanol/air (Koa) model: 1.07E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.06E-006 Mackay model : 9E-006 Octanol/air (Koa) model: 8.59E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 202.8016 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.633 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.53E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 202.2 Log Koc: 2.306 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 = 1.814 (BCF = 65.19) log Kow used: 3.27 (estimated) Volatilization from Water: Henry LC: 0.000104 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.124 hours Half-Life from Model Lake : 191.1 hours (7.961 days) Removal In Wastewater Treatment: Total removal: 13.22 percent Total biodegradation: 0.14 percent Total sludge adsorption: 8.39 percent Total to Air: 4.68 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0878 1.27 1000 Water 14.7 900 1000 Soil 84.6 1.8e+003 1000 Sediment 0.62 8.1e+003 0 Persistence Time: 930 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 210.08 (Adapted Stein & Brown method) Melting Pt (deg C): 11.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.217 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 124.4 log Kow used: 3.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 610.17 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.04E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.425E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.27 (KowWin est) Log Kaw used: -2.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.641 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5806 Biowin2 (Non-Linear Model) : 0.4553 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4649 (weeks-months) Biowin4 (Primary Survey Model) : 3.2074 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2917 Biowin6 (MITI Non-Linear Model): 0.1668 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4277 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): 26.7 Pa (0.2 mm Hg) Log Koa (Koawin est ): 5.641 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.12E-007 Octanol/air (Koa) model: 1.07E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.06E-006 Mackay model : 9E-006 Octanol/air (Koa) model: 8.59E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 202.8016 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.633 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.53E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 202.2 Log Koc: 2.306 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 = 1.814 (BCF = 65.19) log Kow used: 3.27 (estimated) Volatilization from Water: Henry LC: 0.000104 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.124 hours Half-Life from Model Lake : 191.1 hours (7.961 days) Removal In Wastewater Treatment: Total removal: 13.22 percent Total biodegradation: 0.14 percent Total sludge adsorption: 8.39 percent Total to Air: 4.68 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0878 1.27 1000 Water 14.7 900 1000 Soil 84.6 1.8e+003 1000 Sediment 0.62 8.1e+003 0 Persistence Time: 930 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight