Try beta.chemspider
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanamine
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
InChI=1S/C8H4F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24H2
HZCZXRSVKNFILZ-UHFFFAOYSA-N
CSID:119925, http://www.chemspider.com/Chemical-Structure.119925.html (accessed 23:57, Jul 5, 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) = 6.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 130.23 (Adapted Stein & Brown method) Melting Pt (deg C): -10.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.91 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.209 log Kow used: 6.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0035271 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.67E+000 atm-m3/mole Group Method: 2.08E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.490E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.06 (KowWin est) Log Kaw used: 1.834 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.226 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9126 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.5560 (recalcitrant) Biowin4 (Primary Survey Model) : 2.1202 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2739 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9660 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): 1.22E+003 Pa (9.17 mm Hg) Log Koa (Koawin est ): 4.226 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.45E-009 Octanol/air (Koa) model: 4.13E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.86E-008 Mackay model : 1.96E-007 Octanol/air (Koa) model: 3.3E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1564 E-12 cm3/molecule-sec Half-Life = 68.410 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.42E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.058E+005 Log Koc: 5.849 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 = 3.970 (BCF = 9332) log Kow used: 6.06 (estimated) Volatilization from Water: Henry LC: 20.8 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.039 hours Half-Life from Model Lake : 189.8 hours (7.906 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.98 percent Total biodegradation: 0.17 percent Total sludge adsorption: 58.71 percent Total to Air: 41.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.38 1.64e+003 1000 Water 2.71 4.32e+003 1000 Soil 1.41 8.64e+003 1000 Sediment 93.5 3.89e+004 0 Persistence Time: 3.17e+003 hr
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