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4,4,4-Trifluoro-N-nitroso-N-(4,4,4-trifluorobutyl)-1-butanamine
C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O
InChI=1S/C8H12F6N2O/c9-7(10,11)3-1-5-16(15-17)6-2-4-8(12,13)14/h1-6H2
USZDDJLVNDSPSY-UHFFFAOYSA-N
CSID:49658, http://www.chemspider.com/Chemical-Structure.49658.html (accessed 01:08, May 3, 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) = 3.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 247.00 (Adapted Stein & Brown method) Melting Pt (deg C): 25.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0496 (Modified Grain method) Subcooled liquid VP: 0.05 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): 40.02 log Kow used: 3.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.0429 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.99E-004 atm-m3/mole Group Method: 3.97E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.341E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.14 (KowWin est) Log Kaw used: -1.544 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.684 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9445 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.1999 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9334 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1165 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9920 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): 6.67 Pa (0.05 mm Hg) Log Koa (Koawin est ): 4.684 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.5E-007 Octanol/air (Koa) model: 1.19E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.63E-005 Mackay model : 3.6E-005 Octanol/air (Koa) model: 9.49E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.3573 E-12 cm3/molecule-sec Half-Life = 0.439 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.270 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.61E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.734E+004 Log Koc: 4.437 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 = 1.717 (BCF = 52.16) log Kow used: 3.14 (estimated) Volatilization from Water: Henry LC: 3.97E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 25.73 hours (1.072 days) Half-Life from Model Lake : 417.5 hours (17.39 days) Removal In Wastewater Treatment: Total removal: 8.98 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.86 percent Total to Air: 1.99 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.191 10.5 1000 Water 8.01 4.32e+003 1000 Soil 91.5 8.64e+003 1000 Sediment 0.325 3.89e+004 0 Persistence Time: 3.21e+003 hr
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