2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl acrylate
C=CC(=O)OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C10H5F13O2/c1-2-4(24)25-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3H2
XJAVADKMAMZXPW-UHFFFAOYSA-N
CSID:10738, http://www.chemspider.com/Chemical-Structure.10738.html (accessed 02:38, 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) = 6.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 140.98 (Adapted Stein & Brown method) Melting Pt (deg C): -19.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.08 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.008695 log Kow used: 6.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00048658 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.87E+000 atm-m3/mole Group Method: 1.51E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.718E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.47 (KowWin est) Log Kaw used: 2.199 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.271 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7107 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.8727 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4520 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4856 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8578 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): 745 Pa (5.59 mm Hg) Log Koa (Koawin est ): 4.271 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.03E-009 Octanol/air (Koa) model: 4.58E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.45E-007 Mackay model : 3.22E-007 Octanol/air (Koa) model: 3.67E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.2319 E-12 cm3/molecule-sec Half-Life = 1.159 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.903 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 2.34E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.015E+005 Log Koc: 5.006 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 8.070E-003 L/mol-sec Kb Half-Life at pH 8: 2.721 years Kb Half-Life at pH 7: 27.214 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.278 (BCF = 1.897e+004) log Kow used: 6.47 (estimated) Volatilization from Water: Henry LC: 15.1 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.051 hours Half-Life from Model Lake : 190.9 hours (7.956 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.93 percent Total biodegradation: 0.18 percent Total sludge adsorption: 59.74 percent Total to Air: 40.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.396 23.6 1000 Water 1.79 4.32e+003 1000 Soil 3.27 8.64e+003 1000 Sediment 94.5 3.89e+004 0 Persistence Time: 4.66e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight