Try beta.chemspider
N,N,N',N'-Tetramethyl-1,4-benzenediamine
CN(C)c1ccc(cc1)N(C)C
InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3
CJAOGUFAAWZWNI-UHFFFAOYSA-N
CSID:21106585, http://www.chemspider.com/Chemical-Structure.21106585.html (accessed 21:29, Jun 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) = 2.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 228.56 (Adapted Stein & Brown method) Melting Pt (deg C): 26.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00916 (Modified Grain method) MP (exp database): 51 deg C BP (exp database): 260 deg C Subcooled liquid VP: 0.0159 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 646.2 log Kow used: 2.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3237.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.36E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.064E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.35 (KowWin est) Log Kaw used: -4.255 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.605 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2588 Biowin2 (Non-Linear Model) : 0.0225 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3266 (weeks-months) Biowin4 (Primary Survey Model) : 3.0348 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0883 Biowin6 (MITI Non-Linear Model): 0.0343 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0136 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): 2.12 Pa (0.0159 mm Hg) Log Koa (Koawin est ): 6.605 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.42E-006 Octanol/air (Koa) model: 9.89E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.11E-005 Mackay model : 0.000113 Octanol/air (Koa) model: 7.91E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 205.0592 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.626 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.22E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 214.9 Log Koc: 2.332 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 = 1.108 (BCF = 12.83) log Kow used: 2.35 (estimated) Volatilization from Water: Henry LC: 1.36E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 553 hours (23.04 days) Half-Life from Model Lake : 6141 hours (255.9 days) Removal In Wastewater Treatment: Total removal: 2.81 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.63 percent Total to Air: 0.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0698 1.25 1000 Water 25.3 900 1000 Soil 74.5 1.8e+003 1000 Sediment 0.16 8.1e+003 0 Persistence Time: 887 hr
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