Try beta.chemspider
N,N'-[1,4-Piperazinediylbis(2,2,2-trichloro-1,1-ethanediyl)]diformamide
C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O
InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)
RROQIUMZODEXOR-UHFFFAOYSA-N
CSID:30966, http://www.chemspider.com/Chemical-Structure.30966.html (accessed 14:51, Apr 26, 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) = 2.02 Log Kow (Exper. database match) = 2.20 Exper. Ref: Tomlin,C (1997) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 522.06 (Adapted Stein & Brown method) Melting Pt (deg C): 222.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.55E-010 (Modified Grain method) MP (exp database): 155 dec deg C VP (exp database): 2.00E-07 mm Hg at 25 deg C Subcooled liquid VP: 3.86E-006 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 249.5 log Kow used: 2.20 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 30 mg/L (25 deg C) Exper. Ref: WAUCHOPE,RD ET AL. (1991A) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 30.00 Exper. Ref: WAUCHOPE,RD ET AL. (1991A) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.18E-015 atm-m3/mole Group Method: Incomplete Exper Database: 3.82E-09 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.143E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.20 (exp database) Log Kaw used: -6.806 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.006 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4860 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.1566 (recalcitrant) Biowin4 (Primary Survey Model) : 2.1445 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3790 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -4.0175 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): 0.000515 Pa (3.86E-006 mm Hg) Log Koa (Koawin est ): 9.006 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00583 Octanol/air (Koa) model: 0.000249 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.174 Mackay model : 0.318 Octanol/air (Koa) model: 0.0195 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.8912 E-12 cm3/molecule-sec Half-Life = 0.162 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.948 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.246 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 402 Log Koc: 2.604 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 = 0.994 (BCF = 9.863) log Kow used: 2.20 (expkow database) Volatilization from Water: Henry LC: 3.82E-009 atm-m3/mole (Henry experimental database) Half-Life from Model River: 3.197E+005 hours (1.332E+004 days) Half-Life from Model Lake : 3.487E+006 hours (1.453E+005 days) Removal In Wastewater Treatment: Total removal: 2.48 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.38 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 0.06 3.9 1000 Water 21.6 4.32e+003 1000 Soil 78.3 8.64e+003 1000 Sediment 0.115 3.89e+004 0 Persistence Time: 2.35e+003 hr
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