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2-Chloro-1-butene
CCC(=C)Cl
InChI=1S/C4H7Cl/c1-3-4(2)5/h2-3H2,1H3
HSEFPJMMKNHABB-UHFFFAOYSA-N
CSID:37053, http://www.chemspider.com/Chemical-Structure.37053.html (accessed 14:38, May 4, 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) = 2.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 49.94 (Adapted Stein & Brown method) Melting Pt (deg C): -104.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 222 (Mean VP of Antoine & Grain methods) BP (exp database): 58.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 661.6 log Kow used: 2.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 827.29 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.24E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.998E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.66 (KowWin est) Log Kaw used: 0.577 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.083 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5930 Biowin2 (Non-Linear Model) : 0.4676 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8259 (weeks ) Biowin4 (Primary Survey Model) : 3.6165 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5060 Biowin6 (MITI Non-Linear Model): 0.4448 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6208 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): 2.92E+004 Pa (219 mm Hg) Log Koa (Koawin est ): 2.083 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.03E-010 Octanol/air (Koa) model: 2.97E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.71E-009 Mackay model : 8.22E-009 Octanol/air (Koa) model: 2.38E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.8953 E-12 cm3/molecule-sec Half-Life = 0.899 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.790 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.162662 E-17 cm3/molecule-sec Half-Life = 7.045 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 5.97E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.7 Log Koc: 1.831 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 = 1.350 (BCF = 22.36) log Kow used: 2.66 (estimated) Volatilization from Water: Henry LC: 0.0924 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.977 hours (58.62 min) Half-Life from Model Lake : 90.45 hours (3.769 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.30 percent Total biodegradation: 0.02 percent Total sludge adsorption: 1.37 percent Total to Air: 95.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 20.9 19.1 1000 Water 72.8 360 1000 Soil 5.73 720 1000 Sediment 0.661 3.24e+003 0 Persistence Time: 84.6 hr
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