Formaldehyde (3-chlorophenyl)hydrazone
C=NNc1cccc(c1)Cl
InChI=1S/C7H7ClN2/c1-9-10-7-4-2-3-6(8)5-7/h2-5,10H,1H2
JFRBRYMGEMNVME-UHFFFAOYSA-N
CSID:2338437, http://www.chemspider.com/Chemical-Structure.2338437.html (accessed 07:16, Apr 19, 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) = 2.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 221.09 (Adapted Stein & Brown method) Melting Pt (deg C): 16.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.124 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 236.6 log Kow used: 2.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1841.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.77E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.066E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.91 (KowWin est) Log Kaw used: -3.812 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.722 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4915 Biowin2 (Non-Linear Model) : 0.2311 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6509 (weeks-months) Biowin4 (Primary Survey Model) : 3.4593 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3407 Biowin6 (MITI Non-Linear Model): 0.2233 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0781 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): 15.5 Pa (0.116 mm Hg) Log Koa (Koawin est ): 6.722 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.94E-007 Octanol/air (Koa) model: 1.29E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.01E-006 Mackay model : 1.55E-005 Octanol/air (Koa) model: 0.000104 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.9422 E-12 cm3/molecule-sec Half-Life = 0.346 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.148 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.13E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 258.5 Log Koc: 2.412 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 = 1.541 (BCF = 34.77) log Kow used: 2.91 (estimated) Volatilization from Water: Henry LC: 3.77E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 194.4 hours (8.099 days) Half-Life from Model Lake : 2225 hours (92.69 days) Removal In Wastewater Treatment: Total removal: 5.19 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.87 percent Total to Air: 0.21 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.366 8.3 1000 Water 19.9 900 1000 Soil 79.4 1.8e+003 1000 Sediment 0.371 8.1e+003 0 Persistence Time: 1e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight