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2,3-Dichloro-6-(trifluoromethyl)quinoxaline
C1=CC2=C(C=C1C(F)(F)F)N=C(C(=N2)Cl)Cl
InChI=1S/C9H3Cl2F3N2/c10-7-8(11)16-6-3-4(9(12,13)14)1-2-5(6)15-7/h1-3H
JJTQVWHSMBWEJX-UHFFFAOYSA-N
CSID:8145781, http://www.chemspider.com/Chemical-Structure.8145781.html (accessed 22:01, Jun 16, 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) = 3.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 304.70 (Adapted Stein & Brown method) Melting Pt (deg C): 103.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000259 (Modified Grain method) Subcooled liquid VP: 0.00152 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): 25.24 log Kow used: 3.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.0164 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.41E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.606E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.37 (KowWin est) Log Kaw used: -0.655 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.025 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2648 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6829 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8574 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0068 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2548 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): 0.203 Pa (0.00152 mm Hg) Log Koa (Koawin est ): 4.025 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.48E-005 Octanol/air (Koa) model: 2.6E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000534 Mackay model : 0.00118 Octanol/air (Koa) model: 2.08E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0716 E-12 cm3/molecule-sec Half-Life = 149.297 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000859 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3806 Log Koc: 3.580 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 = 1.894 (BCF = 78.26) log Kow used: 3.37 (estimated) Volatilization from Water: Henry LC: 0.00541 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.844 hours Half-Life from Model Lake : 157.1 hours (6.548 days) Removal In Wastewater Treatment: Total removal: 69.95 percent Total biodegradation: 0.08 percent Total sludge adsorption: 6.94 percent Total to Air: 62.94 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 16.5 3.58e+003 1000 Water 18.6 4.32e+003 1000 Soil 63.4 8.64e+003 1000 Sediment 1.41 3.89e+004 0 Persistence Time: 512 hr
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