Try beta.chemspider
3-Chloro-1-propen-1-ol
C(C=CO)Cl
InChI=1S/C3H5ClO/c4-2-1-3-5/h1,3,5H,2H2
NUFHKADPPUOUFS-UHFFFAOYSA-N
CSID:4325939, http://www.chemspider.com/Chemical-Structure.4325939.html (accessed 03:35, Jul 5, 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) = 0.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 174.51 (Adapted Stein & Brown method) Melting Pt (deg C): -37.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.334 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.041e+004 log Kow used: 0.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4592.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.88E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.992E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.91 (KowWin est) Log Kaw used: -3.394 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.304 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7508 Biowin2 (Non-Linear Model) : 0.7231 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9815 (weeks ) Biowin4 (Primary Survey Model) : 3.7431 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6609 Biowin6 (MITI Non-Linear Model): 0.6695 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8331 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): 39.6 Pa (0.297 mm Hg) Log Koa (Koawin est ): 4.304 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.58E-008 Octanol/air (Koa) model: 4.94E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.74E-006 Mackay model : 6.06E-006 Octanol/air (Koa) model: 3.95E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.3589 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 49.1349 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 2.960 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 2.612 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 0.078750 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 0.157500 E-17 cm3/molecule-sec [Trans-] Half-Life = 14.552 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 7.276 Days (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 4.4E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.443 Log Koc: 0.388 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 = 0.500 (BCF = 3.162) log Kow used: 0.91 (estimated) Volatilization from Water: Henry LC: 9.88E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 57.98 hours (2.416 days) Half-Life from Model Lake : 713.2 hours (29.72 days) Removal In Wastewater Treatment: Total removal: 2.42 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 percent Total to Air: 0.55 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.902 5.82 1000 Water 45 360 1000 Soil 54 720 1000 Sediment 0.0887 3.24e+003 0 Persistence Time: 333 hr
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