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[4-(Octyloxy)phenyl]methanol
CCCCCCCCOc1ccc(cc1)CO
InChI=1S/C15H24O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,16H,2-7,12-13H2,1H3
BVSGXVHDNMPZSE-UHFFFAOYSA-N
CSID:127261, http://www.chemspider.com/Chemical-Structure.127261.html (accessed 13:48, Apr 24, 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) = 4.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 346.43 (Adapted Stein & Brown method) Melting Pt (deg C): 98.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.29E-006 (Modified Grain method) Subcooled liquid VP: 6.6E-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): 10.85 log Kow used: 4.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.7883 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.35E-008 atm-m3/mole Group Method: 4.06E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.698E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.59 (KowWin est) Log Kaw used: -5.418 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.008 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0341 Biowin2 (Non-Linear Model) : 0.9923 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0770 (weeks ) Biowin4 (Primary Survey Model) : 3.9824 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6888 Biowin6 (MITI Non-Linear Model): 0.8039 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5424 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00088 Pa (6.6E-006 mm Hg) Log Koa (Koawin est ): 10.008 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00341 Octanol/air (Koa) model: 0.0025 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.11 Mackay model : 0.214 Octanol/air (Koa) model: 0.167 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 47.6047 E-12 cm3/molecule-sec Half-Life = 0.225 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.696 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.162 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 809.4 Log Koc: 2.908 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 = 1.187 (BCF = 15.4) log Kow used: 4.59 (estimated) Volatilization from Water: Henry LC: 4.06E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2219 hours (92.44 days) Half-Life from Model Lake : 2.433E+004 hours (1014 days) Removal In Wastewater Treatment: Total removal: 60.67 percent Total biodegradation: 0.56 percent Total sludge adsorption: 60.11 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 0.425 5.39 1000 Water 20.9 360 1000 Soil 68.9 720 1000 Sediment 9.75 3.24e+003 0 Persistence Time: 530 hr
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