Try beta.chemspider
2,2,4,4-Tetrakis(1-aziridinyl)-1,3,5,7,11-pentaaza-2lambda~5~,4lambda~5~,6lambda~5~-triphosphaspiro[5.5]undeca-1,3,5-triene
C1CNP2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)NC1
InChI=1S/C11H24N9P3/c1-2-12-21(13-3-1)14-22(17-4-5-17,18-6-7-18)16-23(15-21,19-8-9-19)20-10-11-20/h12-13H,1-11H2
BGMDINAJIXBXBZ-UHFFFAOYSA-N
CSID:115269, http://www.chemspider.com/Chemical-Structure.115269.html (accessed 19:24, 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) = 1.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 494.85 (Adapted Stein & Brown method) Melting Pt (deg C): 210.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4E-010 (Modified Grain method) Subcooled liquid VP: 3.7E-008 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): 153.4 log Kow used: 1.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 66.503 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aziridines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.49E-023 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.288E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.70 (KowWin est) Log Kaw used: -20.992 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 22.692 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5689 Biowin2 (Non-Linear Model) : 0.0894 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3698 (weeks-months) Biowin4 (Primary Survey Model) : 3.3063 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1874 Biowin6 (MITI Non-Linear Model): 0.0033 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4841 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): 4.93E-006 Pa (3.7E-008 mm Hg) Log Koa (Koawin est ): 22.692 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.608 Octanol/air (Koa) model: 1.21E+010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.956 Mackay model : 0.98 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 48.4905 E-12 cm3/molecule-sec Half-Life = 0.221 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.647 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.968 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.305E+005 Log Koc: 5.363 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 = 0.610 (BCF = 4.07) log Kow used: 1.70 (estimated) Volatilization from Water: Henry LC: 2.49E-023 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.555E+019 hours (1.898E+018 days) Half-Life from Model Lake : 4.969E+020 hours (2.071E+019 days) Removal In Wastewater Treatment: Total removal: 2.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.95 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 9.11e-015 5.29 1000 Water 28.9 900 1000 Soil 71 1.8e+003 1000 Sediment 0.0834 8.1e+003 0 Persistence Time: 1.27e+003 hr
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