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Undecafluoro(trifluoromethyl)cyclohexane
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
QIROQPWSJUXOJC-UHFFFAOYSA-N
CSID:9260, http://www.chemspider.com/Chemical-Structure.9260.html (accessed 23:22, Apr 23, 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) = 4.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 74.53 (Adapted Stein & Brown method) Melting Pt (deg C): -87.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 112 (Mean VP of Antoine & Grain methods) MP (exp database): -44.7 deg C BP (exp database): 76.3 deg C VP (exp database): 1.06E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.4001 log Kow used: 4.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00049451 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.08E+004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.289E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.04 (KowWin est) Log Kaw used: 5.645 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -1.605 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.0431 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.6399 (recalcitrant) Biowin4 (Primary Survey Model) : 2.1477 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3197 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1693 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): 1.41E+004 Pa (106 mm Hg) Log Koa (Koawin est ): -1.605 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.12E-010 Octanol/air (Koa) model: 6.1E-015 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.67E-009 Mackay model : 1.7E-008 Octanol/air (Koa) model: 4.88E-013 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): 1.23E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.888E+005 Log Koc: 5.276 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 = 2.408 (BCF = 256.1) log Kow used: 4.04 (estimated) Volatilization from Water: Henry LC: 1.08E+004 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.909 hours Half-Life from Model Lake : 177.7 hours (7.405 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 100.00 percent Total biodegradation: 0.07 percent Total sludge adsorption: 18.28 percent Total to Air: 81.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 39.8 1e+005 1000 Water 40.6 4.32e+003 1000 Soil 0.3 8.64e+003 1000 Sediment 19.4 3.89e+004 0 Persistence Time: 224 hr
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