Try beta.chemspider
6,6-Dichloro-N~2~,N~2~,N~4~,N~4~-tetrakis(2-methyl-2-propanyl)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine-2,2,4,4-tetramine
Clp1(Cl)np(np(NC(C)(C)C)(n1)NC(C)(C)C)(NC(C)(C)C)NC(C)(C)C
InChI=1S/C16H40Cl2N7P3/c1-13(2,3)19-27(20-14(4,5)6)23-26(17,18)24-28(25-27,21-15(7,8)9)22-16(10,11)12/h19-22H,1-12H3
YABAEQHAHUIKTI-UHFFFAOYSA-N
CSID:10458698, http://www.chemspider.com/Chemical-Structure.10458698.html (accessed 03:54, Jul 6, 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) = 6.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 484.37 (Adapted Stein & Brown method) Melting Pt (deg C): 205.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.4E-010 (Modified Grain method) Subcooled liquid VP: 6.8E-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): 0.003053 log Kow used: 6.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.083752 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.17E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.790E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.33 (KowWin est) Log Kaw used: -14.675 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.005 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2235 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2582 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5207 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4832 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4557 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): 9.07E-006 Pa (6.8E-008 mm Hg) Log Koa (Koawin est ): 21.005 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.331 Octanol/air (Koa) model: 2.48E+008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.923 Mackay model : 0.964 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.0074 E-12 cm3/molecule-sec Half-Life = 5.328 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 63.941 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.943 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.023E+006 Log Koc: 6.480 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 = 4.174 (BCF = 1.494e+004) log Kow used: 6.33 (estimated) Volatilization from Water: Henry LC: 5.17E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.518E+013 hours (1.049E+012 days) Half-Life from Model Lake : 2.747E+014 hours (1.145E+013 days) Removal In Wastewater Treatment: Total removal: 93.15 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.37 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 9.48e-010 128 1000 Water 0.902 4.32e+003 1000 Soil 56.8 8.64e+003 1000 Sediment 42.3 3.89e+004 0 Persistence Time: 1.39e+004 hr
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