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6-Fluoro-7-methyl-12-methylene-1,2,3,4,7,12-hexahydrotetraphene
CC1c2ccccc2C(=C)c3c1c(cc4c3CCCC4)F
InChI=1S/C20H19F/c1-12-15-8-5-6-9-16(15)13(2)20-18(21)11-14-7-3-4-10-17(14)19(12)20/h5-6,8-9,11,13H,1,3-4,7,10H2,2H3
RWDYYQSDVCSROA-UHFFFAOYSA-N
CSID:114028, http://www.chemspider.com/Chemical-Structure.114028.html (accessed 16:57, May 4, 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) = 6.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 365.21 (Adapted Stein & Brown method) Melting Pt (deg C): 127.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.41E-006 (Modified Grain method) Subcooled liquid VP: 5.73E-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): 0.004228 log Kow used: 6.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0086377 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.34E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.687E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.41 (KowWin est) Log Kaw used: -2.523 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.933 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0310 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9525 (months ) Biowin4 (Primary Survey Model) : 3.2540 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1265 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4327 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): 0.00764 Pa (5.73E-005 mm Hg) Log Koa (Koawin est ): 8.933 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000393 Octanol/air (Koa) model: 0.00021 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.014 Mackay model : 0.0305 Octanol/air (Koa) model: 0.0166 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 71.3454 E-12 cm3/molecule-sec Half-Life = 0.150 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.799 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 25.199999 E-17 cm3/molecule-sec Half-Life = 0.045 Days (at 7E11 mol/cm3) Half-Life = 1.091 Hrs Fraction sorbed to airborne particulates (phi): 0.0222 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.089E+006 Log Koc: 6.037 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 = 4.239 (BCF = 1.734e+004) log Kow used: 6.41 (estimated) Volatilization from Water: Henry LC: 7.34E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 15.01 hours Half-Life from Model Lake : 303.7 hours (12.65 days) Removal In Wastewater Treatment: Total removal: 93.30 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.50 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0103 0.837 1000 Water 2.05 1.44e+003 1000 Soil 34 2.88e+003 1000 Sediment 64 1.3e+004 0 Persistence Time: 4.08e+003 hr
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