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4-Butyl-1-octanol
CCCCC(CCCO)CCCC
InChI=1S/C12H26O/c1-3-5-8-12(9-6-4-2)10-7-11-13/h12-13H,3-11H2,1-2H3
YAEJTBMTGPJKOR-UHFFFAOYSA-N
Date of deprecation: 12:36, Oct 22, 2013 Reason for deprecation: Deprecate record: there are no supporting data sources.
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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) = 4.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 262.99 (Adapted Stein & Brown method) Melting Pt (deg C): 18.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0014 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 16.18 log Kow used: 4.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.078 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.63E-005 atm-m3/mole Group Method: 1.86E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.121E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.70 (KowWin est) Log Kaw used: -2.405 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.105 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0344 Biowin2 (Non-Linear Model) : 0.9943 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5440 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2465 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7138 Biowin6 (MITI Non-Linear Model): 0.8760 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2423 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): 0.188 Pa (0.00141 mm Hg) Log Koa (Koawin est ): 7.105 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.6E-005 Octanol/air (Koa) model: 3.13E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000576 Mackay model : 0.00127 Octanol/air (Koa) model: 0.00025 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.8814 E-12 cm3/molecule-sec Half-Life = 0.566 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.798 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000926 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 301 Log Koc: 2.479 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 = 1.916 (BCF = 82.44) log Kow used: 4.70 (estimated) Volatilization from Water: Henry LC: 9.63E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.692 hours Half-Life from Model Lake : 220.2 hours (9.175 days) Removal In Wastewater Treatment: Total removal: 66.79 percent Total biodegradation: 0.58 percent Total sludge adsorption: 64.74 percent Total to Air: 1.46 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.08 13.6 1000 Water 22 208 1000 Soil 67.7 416 1000 Sediment 8.17 1.87e+003 0 Persistence Time: 296 hr
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