Try beta.chemspider
6,7-Dichloro-2,3-diethylquinoxaline
CCc1c(nc2cc(c(cc2n1)Cl)Cl)CC
InChI=1S/C12H12Cl2N2/c1-3-9-10(4-2)16-12-6-8(14)7(13)5-11(12)15-9/h5-6H,3-4H2,1-2H3
IABSKMSIQYFQLM-UHFFFAOYSA-N
CSID:2077731, http://www.chemspider.com/Chemical-Structure.2077731.html (accessed 01:24, Jul 30, 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) = 4.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 352.07 (Adapted Stein & Brown method) Melting Pt (deg C): 126.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.15E-005 (Modified Grain method) Subcooled liquid VP: 0.000118 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): 3.294 log Kow used: 4.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.504 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.36E-007 atm-m3/mole Group Method: 2.13E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.172E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.48 (KowWin est) Log Kaw used: -4.862 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.342 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3706 Biowin2 (Non-Linear Model) : 0.0296 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0724 (months ) Biowin4 (Primary Survey Model) : 3.0119 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1287 Biowin6 (MITI Non-Linear Model): 0.0052 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5620 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): 0.0157 Pa (0.000118 mm Hg) Log Koa (Koawin est ): 9.342 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000191 Octanol/air (Koa) model: 0.00054 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00684 Mackay model : 0.015 Octanol/air (Koa) model: 0.0414 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.4461 E-12 cm3/molecule-sec Half-Life = 3.104 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 37.245 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0109 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5331 Log Koc: 3.727 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 = 2.751 (BCF = 563.8) log Kow used: 4.48 (estimated) Volatilization from Water: Henry LC: 3.36E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2785 hours (116 days) Half-Life from Model Lake : 3.052E+004 hours (1271 days) Removal In Wastewater Treatment: Total removal: 54.98 percent Total biodegradation: 0.51 percent Total sludge adsorption: 54.45 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.549 74.5 1000 Water 10.3 1.44e+003 1000 Soil 79.5 2.88e+003 1000 Sediment 9.69 1.3e+004 0 Persistence Time: 2.19e+003 hr
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