Heptafluorobutanoic anhydride
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22
UFFSXJKVKBQEHC-UHFFFAOYSA-N
CSID:60962, http://www.chemspider.com/Chemical-Structure.60962.html (accessed 02:33, 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) = 4.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 110.08 (Adapted Stein & Brown method) Melting Pt (deg C): -44.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 28.3 (Mean VP of Antoine & Grain methods) MP (exp database): -43 deg C BP (exp database): 106.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.8062 log Kow used: 4.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.031027 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.69E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.894E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.12 (KowWin est) Log Kaw used: 1.839 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.281 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.2242 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.4186 (recalcitrant) Biowin4 (Primary Survey Model) : 2.0936 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0060 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5008 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): 3.56E+003 Pa (26.7 mm Hg) Log Koa (Koawin est ): 2.281 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.43E-010 Octanol/air (Koa) model: 4.69E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.04E-008 Mackay model : 6.74E-008 Octanol/air (Koa) model: 3.75E-009 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): 4.89E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6796 Log Koc: 3.832 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.805E+008 L/mol-sec Kb Half-Life at pH 8: 0.004 seconds Kb Half-Life at pH 7: 0.038 seconds Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.471 (BCF = 295.9) log Kow used: 4.12 (estimated) Volatilization from Water: Henry LC: 1.69 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.067 hours Half-Life from Model Lake : 192.3 hours (8.014 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.87 percent Total biodegradation: 0.07 percent Total sludge adsorption: 20.71 percent Total to Air: 79.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 37 1e+005 1000 Water 37.8 4.32e+003 1000 Soil 2.9 8.64e+003 1000 Sediment 22.2 3.89e+004 0 Persistence Time: 241 hr
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