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N-(4-Methyl-2-pentanyl)-N-phenyl-1,4-benzenediamine
CC(C)CC(C)N(c1ccccc1)c2ccc(cc2)N
InChI=1S/C18H24N2/c1-14(2)13-15(3)20(17-7-5-4-6-8-17)18-11-9-16(19)10-12-18/h4-12,14-15H,13,19H2,1-3H3
KZTCAXCBXSIQSS-UHFFFAOYSA-N
CSID:84262, http://www.chemspider.com/Chemical-Structure.84262.html (accessed 02:48, May 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) = 5.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 380.13 (Adapted Stein & Brown method) Melting Pt (deg C): 129.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.29E-006 (Modified Grain method) Subcooled liquid VP: 2.51E-005 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): 0.6372 log Kow used: 5.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.8262 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.14E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.269E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.23 (KowWin est) Log Kaw used: -5.892 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.122 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3088 Biowin2 (Non-Linear Model) : 0.0417 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2383 (months ) Biowin4 (Primary Survey Model) : 3.0690 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3056 Biowin6 (MITI Non-Linear Model): 0.0027 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7017 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): 0.00335 Pa (2.51E-005 mm Hg) Log Koa (Koawin est ): 11.122 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000896 Octanol/air (Koa) model: 0.0325 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0314 Mackay model : 0.0669 Octanol/air (Koa) model: 0.722 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 226.4928 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.567 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0491 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.511E+004 Log Koc: 4.814 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 = 3.327 (BCF = 2124) log Kow used: 5.23 (estimated) Volatilization from Water: Henry LC: 3.14E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.055E+004 hours (1273 days) Half-Life from Model Lake : 3.334E+005 hours (1.389E+004 days) Removal In Wastewater Treatment: Total removal: 83.77 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.05 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 0.0182 1.13 1000 Water 6.98 1.44e+003 1000 Soil 58.2 2.88e+003 1000 Sediment 34.8 1.3e+004 0 Persistence Time: 2.62e+003 hr
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