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Phenyl[2-(trifluoromethyl)phenyl]methanol
c1ccc(cc1)C(c2ccccc2C(F)(F)F)O
InChI=1S/C14H11F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9,13,18H
RMAICPATZGPCIL-UHFFFAOYSA-N
CSID:2057683, http://www.chemspider.com/Chemical-Structure.2057683.html (accessed 00:20, Jun 1, 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) = 3.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 315.95 (Adapted Stein & Brown method) Melting Pt (deg C): 80.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.44E-005 (Modified Grain method) Subcooled liquid VP: 4.83E-005 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): 54.32 log Kow used: 3.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.646 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.53E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.798E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.67 (KowWin est) Log Kaw used: -5.204 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.874 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3939 Biowin2 (Non-Linear Model) : 0.0347 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3108 (weeks-months) Biowin4 (Primary Survey Model) : 3.3438 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2392 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3612 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): 0.00644 Pa (4.83E-005 mm Hg) Log Koa (Koawin est ): 8.874 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000466 Octanol/air (Koa) model: 0.000184 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0165 Mackay model : 0.0359 Octanol/air (Koa) model: 0.0145 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.4858 E-12 cm3/molecule-sec Half-Life = 0.857 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.280 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0262 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4200 Log Koc: 3.623 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 = 1.478 (BCF = 30.06) log Kow used: 3.67 (estimated) Volatilization from Water: Henry LC: 1.53E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6079 hours (253.3 days) Half-Life from Model Lake : 6.645E+004 hours (2769 days) Removal In Wastewater Treatment: Total removal: 17.52 percent Total biodegradation: 0.22 percent Total sludge adsorption: 17.29 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.421 20.6 1000 Water 15.2 900 1000 Soil 82.7 1.8e+003 1000 Sediment 1.65 8.1e+003 0 Persistence Time: 1.29e+003 hr
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