Try beta.chemspider
- Double-bond stereo
N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chloride
c1ccc(cc1)/C(=N/Nc2c(cc(cc2Cl)Cl)Cl)/Cl
InChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,18H/b19-13-
QVMATSPQIBFRPZ-UYRXBGFRSA-N
CSID:4514595, http://www.chemspider.com/Chemical-Structure.4514595.html (accessed 01:14, Apr 27, 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) = 6.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 391.06 (Adapted Stein & Brown method) Melting Pt (deg C): 138.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.87E-007 (Modified Grain method) Subcooled liquid VP: 1.37E-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): 0.05213 log Kow used: 6.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.15661 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.89E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.321E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.05 (KowWin est) Log Kaw used: -5.618 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.668 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0580 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6900 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7741 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2045 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8352 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): 0.00183 Pa (1.37E-005 mm Hg) Log Koa (Koawin est ): 11.668 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00164 Octanol/air (Koa) model: 0.114 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.056 Mackay model : 0.116 Octanol/air (Koa) model: 0.901 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.4078 E-12 cm3/molecule-sec Half-Life = 1.978 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.735 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0861 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.699E+004 Log Koc: 4.672 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 = 3.962 (BCF = 9170) log Kow used: 6.05 (estimated) Volatilization from Water: Henry LC: 5.89E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.817E+004 hours (757.1 days) Half-Life from Model Lake : 1.984E+005 hours (8265 days) Removal In Wastewater Treatment: Total removal: 92.36 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.59 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 0.0424 47.5 1000 Water 1.25 4.32e+003 1000 Soil 56 8.64e+003 1000 Sediment 42.7 3.89e+004 0 Persistence Time: 1.16e+004 hr
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