1-Phenyl-2-octanol
CCCCCCC(Cc1ccccc1)O
InChI=1S/C14H22O/c1-2-3-4-8-11-14(15)12-13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3
AWLDTWVEFFLZOO-UHFFFAOYSA-N
CSID:219055, http://www.chemspider.com/Chemical-Structure.219055.html (accessed 06:24, Mar 29, 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) = 4.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 308.35 (Adapted Stein & Brown method) Melting Pt (deg C): 56.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.03E-005 (Modified Grain method) Subcooled liquid VP: 7.89E-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): 21.23 log Kow used: 4.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17.996 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.58E-006 atm-m3/mole Group Method: 1.34E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.154E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.44 (KowWin est) Log Kaw used: -4.190 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.630 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0992 Biowin2 (Non-Linear Model) : 0.9956 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1487 (weeks ) Biowin4 (Primary Survey Model) : 3.8849 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4417 Biowin6 (MITI Non-Linear Model): 0.5291 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1549 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): 0.0105 Pa (7.89E-005 mm Hg) Log Koa (Koawin est ): 8.630 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000285 Octanol/air (Koa) model: 0.000105 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0102 Mackay model : 0.0223 Octanol/air (Koa) model: 0.00831 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.3748 E-12 cm3/molecule-sec Half-Life = 0.458 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.491 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0163 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 998.6 Log Koc: 2.999 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 = 2.069 (BCF = 117.1) log Kow used: 4.44 (estimated) Volatilization from Water: Henry LC: 1.34E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 629.1 hours (26.21 days) Half-Life from Model Lake : 6983 hours (291 days) Removal In Wastewater Treatment: Total removal: 52.86 percent Total biodegradation: 0.50 percent Total sludge adsorption: 52.33 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 0.867 11 1000 Water 21.9 360 1000 Soil 69.8 720 1000 Sediment 7.35 3.24e+003 0 Persistence Time: 509 hr
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