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N-[(Pentafluorobenzyl)oxy]-3-pentanimine
CCC(=NOCc1c(c(c(c(c1F)F)F)F)F)CC
InChI=1S/C12H12F5NO/c1-3-6(4-2)18-19-5-7-8(13)10(15)12(17)11(16)9(7)14/h3-5H2,1-2H3
FKZJISQHJODJLF-UHFFFAOYSA-N
CSID:523806, http://www.chemspider.com/Chemical-Structure.523806.html (accessed 20:38, 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) = 4.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 248.75 (Adapted Stein & Brown method) Melting Pt (deg C): 40.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0205 (Modified Grain method) Subcooled liquid VP: 0.0284 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): 1.332 log Kow used: 4.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.55499 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.69E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.695E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.77 (KowWin est) Log Kaw used: -1.503 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.273 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -3.4363 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.5430 (recalcitrant) Biowin4 (Primary Survey Model) : 3.5093 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0063 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7216 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): 3.79 Pa (0.0284 mm Hg) Log Koa (Koawin est ): 6.273 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.92E-007 Octanol/air (Koa) model: 4.6E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.86E-005 Mackay model : 6.34E-005 Octanol/air (Koa) model: 3.68E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.3323 E-12 cm3/molecule-sec Half-Life = 3.210 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 38.518 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.6E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.365E+005 Log Koc: 5.374 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 = 2.972 (BCF = 938.5) log Kow used: 4.77 (estimated) Volatilization from Water: Henry LC: 0.000769 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.988 hours Half-Life from Model Lake : 173.2 hours (7.217 days) Removal In Wastewater Treatment: Total removal: 73.06 percent Total biodegradation: 0.55 percent Total sludge adsorption: 64.99 percent Total to Air: 7.51 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.67 77 1000 Water 2.53 4.32e+003 1000 Soil 89.5 8.64e+003 1000 Sediment 7.3 3.89e+004 0 Persistence Time: 4.33e+003 hr
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