Try beta.chemspider
2,2,2-Trifluoro-N'-phenylacetohydrazide
c1ccc(cc1)NNC(=O)C(F)(F)F
InChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-12-6-4-2-1-3-5-6/h1-5,12H,(H,13,14)
HWPBXYPSTIZFGV-UHFFFAOYSA-N
CSID:33687, http://www.chemspider.com/Chemical-Structure.33687.html (accessed 21:30, 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) = 1.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 317.21 (Adapted Stein & Brown method) Melting Pt (deg C): 104.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00013 (Modified Grain method) Subcooled liquid VP: 0.000779 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): 1236 log Kow used: 1.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 95992 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.03E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.825E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.79 (KowWin est) Log Kaw used: -8.081 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.871 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2580 Biowin2 (Non-Linear Model) : 0.0227 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2571 (weeks-months) Biowin4 (Primary Survey Model) : 3.2837 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1750 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5771 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): 0.104 Pa (0.000779 mm Hg) Log Koa (Koawin est ): 9.871 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.89E-005 Octanol/air (Koa) model: 0.00182 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00104 Mackay model : 0.00231 Octanol/air (Koa) model: 0.127 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.6580 E-12 cm3/molecule-sec Half-Life = 0.251 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.009 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00167 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 309.7 Log Koc: 2.491 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 = 0.677 (BCF = 4.757) log Kow used: 1.79 (estimated) Volatilization from Water: Henry LC: 2.03E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.121E+006 hours (1.717E+005 days) Half-Life from Model Lake : 4.496E+007 hours (1.873E+006 days) Removal In Wastewater Treatment: Total removal: 2.09 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.00 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 0.00209 6.02 1000 Water 27.1 900 1000 Soil 72.8 1.8e+003 1000 Sediment 0.0844 8.1e+003 0 Persistence Time: 1.31e+003 hr
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