2,2,4,4,6,6,8,8-Octachloro-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine
N1=P(N=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl
InChI=1S/Cl8N4P4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13
PEJQKHLWXHKKGS-UHFFFAOYSA-N
CSID:68764, http://www.chemspider.com/Chemical-Structure.68764.html (accessed 00:11, 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) = 4.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 737.76 (Adapted Stein & Brown method) Melting Pt (deg C): 323.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.85E-018 (Modified Grain method) Subcooled liquid VP: 1.61E-014 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): 0.1549 log Kow used: 4.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2864.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.14E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.697E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.56 (KowWin est) Log Kaw used: -8.600 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.160 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5269 Biowin2 (Non-Linear Model) : 0.0273 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1748 (months ) Biowin4 (Primary Survey Model) : 3.1790 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6669 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 2.15E-012 Pa (1.61E-014 mm Hg) Log Koa (Koawin est ): 13.160 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.4E+006 Octanol/air (Koa) model: 3.55 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.796E+004 Log Koc: 4.254 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 = 2.814 (BCF = 651.8) log Kow used: 4.56 (estimated) Volatilization from Water: Henry LC: 6.14E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.053E+007 hours (8.554E+005 days) Half-Life from Model Lake : 2.24E+008 hours (9.332E+006 days) Removal In Wastewater Treatment: Total removal: 59.15 percent Total biodegradation: 0.55 percent Total sludge adsorption: 58.60 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 0.296 1e+005 1000 Water 8.19 1.44e+003 1000 Soil 82.2 2.88e+003 1000 Sediment 9.29 1.3e+004 0 Persistence Time: 2.81e+003 hr
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