2,3-Dimethylaniline
Cc1cccc(c1C)N
InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3
VVAKEQGKZNKUSU-UHFFFAOYSA-N
CSID:13840647, http://www.chemspider.com/Chemical-Structure.13840647.html (accessed 05:16, 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) = 2.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 223.42 (Adapted Stein & Brown method) Melting Pt (deg C): 29.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.121 (Mean VP of Antoine & Grain methods) MP (exp database): <-15 deg C BP (exp database): 221.5 deg C VP (exp database): 7.50E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1392 log Kow used: 2.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2175.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.32E-006 atm-m3/mole Group Method: 2.50E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.386E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.17 (KowWin est) Log Kaw used: -4.023 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.193 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5654 Biowin2 (Non-Linear Model) : 0.6307 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6467 (weeks-months) Biowin4 (Primary Survey Model) : 3.4275 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3015 Biowin6 (MITI Non-Linear Model): 0.2272 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4716 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): 10 Pa (0.075 mm Hg) Log Koa (Koawin est ): 6.193 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3E-007 Octanol/air (Koa) model: 3.83E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.08E-005 Mackay model : 2.4E-005 Octanol/air (Koa) model: 3.06E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.2720 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.641 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.74E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 122.4 Log Koc: 2.088 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 = 0.971 (BCF = 9.362) log Kow used: 2.17 (estimated) Volatilization from Water: Henry LC: 2.5E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 258.9 hours (10.79 days) Half-Life from Model Lake : 2917 hours (121.5 days) Removal In Wastewater Treatment: Total removal: 2.57 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.34 percent Total to Air: 0.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0784 1.28 1000 Water 28.1 900 1000 Soil 71.7 1.8e+003 1000 Sediment 0.135 8.1e+003 0 Persistence Time: 830 hr
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