- Double-bond stereo
(5E)-5-(2,6-Dichlorobenzylidene)-N,N,6-trimethyl-4,5-dihydro-3-pyridazinamine
CC\1=NN=C(C/C1=C\c2c(cccc2Cl)Cl)N(C)C
InChI=1S/C14H15Cl2N3/c1-9-10(8-14(18-17-9)19(2)3)7-11-12(15)5-4-6-13(11)16/h4-7H,8H2,1-3H3/b10-7+
SDTCYIUGPGBUFB-JXMROGBWSA-N
CSID:4943235, http://www.chemspider.com/Chemical-Structure.4943235.html (accessed 16:21, May 29, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 377.20 (Adapted Stein & Brown method) Melting Pt (deg C): 147.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.7E-006 (Modified Grain method) Subcooled liquid VP: 2.96E-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): 0.05463 log Kow used: 6.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.90144 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.68E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.213E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.29 (KowWin est) Log Kaw used: -5.450 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.740 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2417 Biowin2 (Non-Linear Model) : 0.0053 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1314 (months ) Biowin4 (Primary Survey Model) : 3.0897 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1049 Biowin6 (MITI Non-Linear Model): 0.0031 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6870 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): 0.00395 Pa (2.96E-005 mm Hg) Log Koa (Koawin est ): 11.740 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00076 Octanol/air (Koa) model: 0.135 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0267 Mackay model : 0.0573 Octanol/air (Koa) model: 0.915 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 157.6528 E-12 cm3/molecule-sec Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.814 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 0.042 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.069E+005 Log Koc: 5.029 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 = 4.145 (BCF = 1.397e+004) log Kow used: 6.29 (estimated) Volatilization from Water: Henry LC: 8.68E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.161E+004 hours (483.8 days) Half-Life from Model Lake : 1.268E+005 hours (5284 days) Removal In Wastewater Treatment: Total removal: 93.06 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.29 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 0.00987 0.901 1000 Water 2.27 1.44e+003 1000 Soil 34.3 2.88e+003 1000 Sediment 63.4 1.3e+004 0 Persistence Time: 4.17e+003 hr
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