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1-Chloro-1-butanol
CCCC(O)Cl
InChI=1S/C4H9ClO/c1-2-3-4(5)6/h4,6H,2-3H2,1H3
LVZIWKFQFKNSMO-UHFFFAOYSA-N
CSID:13604186, http://www.chemspider.com/Chemical-Structure.13604186.html (accessed 13:41, May 21, 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) = 1.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 141.60 (Adapted Stein & Brown method) Melting Pt (deg C): -46.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.16 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.775e+004 log Kow used: 1.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 47330 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.22E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.462E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.02 (KowWin est) Log Kaw used: -4.042 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.062 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7432 Biowin2 (Non-Linear Model) : 0.6752 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9460 (weeks ) Biowin4 (Primary Survey Model) : 3.7199 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5999 Biowin6 (MITI Non-Linear Model): 0.6307 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7607 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): 260 Pa (1.95 mm Hg) Log Koa (Koawin est ): 5.062 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.15E-008 Octanol/air (Koa) model: 2.83E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.17E-007 Mackay model : 9.23E-007 Octanol/air (Koa) model: 2.27E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.0433 E-12 cm3/molecule-sec Half-Life = 2.121 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.450 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.7E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.777 Log Koc: 0.577 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 = 0.087 (BCF = 1.221) log Kow used: 1.02 (estimated) Volatilization from Water: Henry LC: 2.22E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 275.9 hours (11.49 days) Half-Life from Model Lake : 3097 hours (129 days) Removal In Wastewater Treatment: Total removal: 2.01 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 percent Total to Air: 0.13 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.84 50.9 1000 Water 42.2 360 1000 Soil 53.9 720 1000 Sediment 0.0849 3.24e+003 0 Persistence Time: 376 hr
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