N-[(Difluoroamino)(difluoro)methyl]-N,N',N',N'',N'',N''',N'''-heptafluoromethanetetramine
C(N(C(N(F)F)(F)F)F)(N(F)F)(N(F)F)N(F)F
InChI=1S/C2F11N5/c3-1(4,15(6)7)14(5)2(16(8)9,17(10)11)18(12)13
VNPUZQXKHMBVJY-UHFFFAOYSA-N
CSID:123629, http://www.chemspider.com/Chemical-Structure.123629.html (accessed 06:07, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -6.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 114.62 (Adapted Stein & Brown method) Melting Pt (deg C): -16.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 19.8 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -6.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.67E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.895E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -6.99 (KowWin est) Log Kaw used: 0.281 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -7.271 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2354 Biowin2 (Non-Linear Model) : 0.0087 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1053 (months ) Biowin4 (Primary Survey Model) : 3.1036 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1370 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1676 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): 2.48E+003 Pa (18.6 mm Hg) Log Koa (Koawin est ): -7.271 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.21E-009 Octanol/air (Koa) model: 1.32E-020 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.37E-008 Mackay model : 9.68E-008 Octanol/air (Koa) model: 1.05E-018 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): 7.02E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.241E+004 Log Koc: 4.094 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 = 0.500 (BCF = 3.162) log Kow used: -6.99 (estimated) Volatilization from Water: Henry LC: 0.0467 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.798 hours Half-Life from Model Lake : 165.6 hours (6.899 days) Removal In Wastewater Treatment: Total removal: 94.77 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.33 percent Total to Air: 94.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 50.6 1e+005 1000 Water 48.7 1.44e+003 1000 Soil 0.692 2.88e+003 1000 Sediment 0.0945 1.3e+004 0 Persistence Time: 173 hr
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