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(4-Chloro-2-nitrophenyl)hydrazine
c1cc(c(cc1Cl)[N+](=O)[O-])NN
InChI=1S/C6H6ClN3O2/c7-4-1-2-5(9-8)6(3-4)10(11)12/h1-3,9H,8H2
HMLXAWGHSCTGQJ-UHFFFAOYSA-N
CSID:2502246, http://www.chemspider.com/Chemical-Structure.2502246.html (accessed 06:02, Jul 15, 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) = 1.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 309.93 (Adapted Stein & Brown method) Melting Pt (deg C): 111.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000161 (Modified Grain method) Subcooled liquid VP: 0.00115 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): 1372 log Kow used: 1.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 47592 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.09E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.896E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.83 (KowWin est) Log Kaw used: -7.682 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.512 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1708 Biowin2 (Non-Linear Model) : 0.0151 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4084 (weeks-months) Biowin4 (Primary Survey Model) : 3.3034 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3757 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0665 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): 0.153 Pa (0.00115 mm Hg) Log Koa (Koawin est ): 9.512 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.96E-005 Octanol/air (Koa) model: 0.000798 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000706 Mackay model : 0.00156 Octanol/air (Koa) model: 0.06 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5566 E-12 cm3/molecule-sec Half-Life = 6.871 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 82.456 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00113 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 165 Log Koc: 2.217 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 = 0.712 (BCF = 5.155) log Kow used: 1.83 (estimated) Volatilization from Water: Henry LC: 5.09E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.575E+006 hours (6.564E+004 days) Half-Life from Model Lake : 1.719E+007 hours (7.161E+005 days) Removal In Wastewater Treatment: Total removal: 2.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.02 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 0.0052 165 1000 Water 26.3 900 1000 Soil 73.6 1.8e+003 1000 Sediment 0.0848 8.1e+003 0 Persistence Time: 1.33e+003 hr
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