Try beta.chemspider
N,N,N',N'-Tetraethyl-4,4'-biphenyldiamine
CCN(CC)c1ccc(cc1)c2ccc(cc2)N(CC)CC
InChI=1S/C20H28N2/c1-5-21(6-2)19-13-9-17(10-14-19)18-11-15-20(16-12-18)22(7-3)8-4/h9-16H,5-8H2,1-4H3
BDZHBJPMMZFUJV-UHFFFAOYSA-N
CSID:174745, http://www.chemspider.com/Chemical-Structure.174745.html (accessed 07:43, Apr 30, 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) = 6.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 400.11 (Adapted Stein & Brown method) Melting Pt (deg C): 141.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.48E-007 (Modified Grain method) Subcooled liquid VP: 8.26E-006 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): 0.08324 log Kow used: 6.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.15675 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.25E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.568E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.08 (KowWin est) Log Kaw used: -4.877 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.957 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1959 Biowin2 (Non-Linear Model) : 0.0035 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0344 (months ) Biowin4 (Primary Survey Model) : 2.8440 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0744 Biowin6 (MITI Non-Linear Model): 0.0070 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.2914 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): 0.0011 Pa (8.26E-006 mm Hg) Log Koa (Koawin est ): 10.957 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00272 Octanol/air (Koa) model: 0.0222 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0896 Mackay model : 0.179 Octanol/air (Koa) model: 0.64 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 235.4139 E-12 cm3/molecule-sec Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.545 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.134 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.131E+005 Log Koc: 5.054 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 = 3.979 (BCF = 9528) log Kow used: 6.08 (estimated) Volatilization from Water: Henry LC: 3.25E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3104 hours (129.3 days) Half-Life from Model Lake : 3.4E+004 hours (1417 days) Removal In Wastewater Treatment: Total removal: 92.47 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.70 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 0.0131 1.09 1000 Water 2.78 1.44e+003 1000 Soil 36.2 2.88e+003 1000 Sediment 61 1.3e+004 0 Persistence Time: 3.88e+003 hr
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