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- Double-bond stereo
N-Hydroxy-N-methyl-4-[(E)-phenyldiazenyl]aniline
CN(c1ccc(cc1)/N=N/c2ccccc2)O
InChI=1S/C13H13N3O/c1-16(17)13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10,17H,1H3/b15-14+
QZCFCYBJIPGALJ-CCEZHUSRSA-N
CSID:97010, http://www.chemspider.com/Chemical-Structure.97010.html (accessed 11:50, May 4, 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) = 3.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 413.42 (Adapted Stein & Brown method) Melting Pt (deg C): 141.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.01E-009 (Modified Grain method) Subcooled liquid VP: 7.46E-008 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): 8.079 log Kow used: 3.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 99.268 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.13E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.854E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.70 (KowWin est) Log Kaw used: -8.060 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.760 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5256 Biowin2 (Non-Linear Model) : 0.0013 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4186 (weeks-months) Biowin4 (Primary Survey Model) : 3.4719 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0645 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1158 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): 9.95E-006 Pa (7.46E-008 mm Hg) Log Koa (Koawin est ): 11.760 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.302 Octanol/air (Koa) model: 0.141 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.916 Mackay model : 0.96 Octanol/air (Koa) model: 0.919 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.9579 E-12 cm3/molecule-sec Half-Life = 1.537 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.447 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.938 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1212 Log Koc: 3.083 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 = 1.000 (BCF = 10) log Kow used: 3.70 (estimated) Volatilization from Water: Henry LC: 2.13E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.144E+006 hours (1.727E+005 days) Half-Life from Model Lake : 4.521E+007 hours (1.884E+006 days) Removal In Wastewater Treatment: Total removal: 18.44 percent Total biodegradation: 0.23 percent Total sludge adsorption: 18.21 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 0.0204 36.9 1000 Water 11.4 900 1000 Soil 87.2 1.8e+003 1000 Sediment 1.33 8.1e+003 0 Persistence Time: 1.83e+003 hr
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