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(4-Chlorophenyl)(4-ethylphenyl)methanol
CCc1ccc(cc1)C(c2ccc(cc2)Cl)O
InChI=1S/C15H15ClO/c1-2-11-3-5-12(6-4-11)15(17)13-7-9-14(16)10-8-13/h3-10,15,17H,2H2,1H3
DQJCWNHGINTQOL-UHFFFAOYSA-N
CSID:2038259, http://www.chemspider.com/Chemical-Structure.2038259.html (accessed 21:26, Jul 3, 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) = 4.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 356.86 (Adapted Stein & Brown method) Melting Pt (deg C): 109.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.9E-007 (Modified Grain method) Subcooled liquid VP: 3.32E-006 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): 14.15 log Kow used: 4.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.9928 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.91E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.124E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.39 (KowWin est) Log Kaw used: -6.107 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.497 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6611 Biowin2 (Non-Linear Model) : 0.3067 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5324 (weeks-months) Biowin4 (Primary Survey Model) : 3.3873 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1461 Biowin6 (MITI Non-Linear Model): 0.0633 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3651 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): 0.000443 Pa (3.32E-006 mm Hg) Log Koa (Koawin est ): 10.497 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00678 Octanol/air (Koa) model: 0.00771 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.197 Mackay model : 0.352 Octanol/air (Koa) model: 0.381 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.5123 E-12 cm3/molecule-sec Half-Life = 0.690 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.274 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.274 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2922 Log Koc: 3.466 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 = 2.032 (BCF = 107.7) log Kow used: 4.39 (estimated) Volatilization from Water: Henry LC: 1.91E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.815E+004 hours (2006 days) Half-Life from Model Lake : 5.254E+005 hours (2.189E+004 days) Removal In Wastewater Treatment: Total removal: 50.14 percent Total biodegradation: 0.48 percent Total sludge adsorption: 49.66 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.121 16.5 1000 Water 11.5 900 1000 Soil 81.7 1.8e+003 1000 Sediment 6.69 8.1e+003 0 Persistence Time: 1.7e+003 hr
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