Try beta.chemspider
4-Nonylaniline
CCCCCCCCCc1ccc(cc1)N
InChI=1S/C15H25N/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13H,2-9,16H2,1H3
FDECURPHVMNAKO-UHFFFAOYSA-N
CSID:125409, http://www.chemspider.com/Chemical-Structure.125409.html (accessed 01:20, May 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) = 5.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 333.00 (Adapted Stein & Brown method) Melting Pt (deg C): 94.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.1E-005 (Modified Grain method) Subcooled liquid VP: 0.000333 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): 0.629 log Kow used: 5.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.66758 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.03E-005 atm-m3/mole Group Method: 4.06E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.258E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.55 (KowWin est) Log Kaw used: -3.081 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.631 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5725 Biowin2 (Non-Linear Model) : 0.6005 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8029 (weeks ) Biowin4 (Primary Survey Model) : 3.6234 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2253 Biowin6 (MITI Non-Linear Model): 0.1609 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1606 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): 0.0444 Pa (0.000333 mm Hg) Log Koa (Koawin est ): 8.631 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.76E-005 Octanol/air (Koa) model: 0.000105 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00243 Mackay model : 0.00538 Octanol/air (Koa) model: 0.00833 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 142.0907 E-12 cm3/molecule-sec Half-Life = 0.075 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.903 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00391 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.017E+004 Log Koc: 4.008 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 = 2.575 (BCF = 375.9) log Kow used: 5.55 (estimated) Volatilization from Water: Henry LC: 4.06E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 22.87 hours Half-Life from Model Lake : 373.7 hours (15.57 days) Removal In Wastewater Treatment: Total removal: 88.91 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.04 percent Total to Air: 0.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.126 1.81 1000 Water 11.5 360 1000 Soil 48.2 720 1000 Sediment 40.2 3.24e+003 0 Persistence Time: 719 hr
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