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- Double-bond stereo
(1Z)-2,3-Dichloro-1-propen-1-ol
ClCC(/Cl)=C/O
InChI=1S/C3H4Cl2O/c4-1-3(5)2-6/h2,6H,1H2/b3-2-
KCGGRNKILYIJRL-IHWYPQMZSA-N
CSID:4822210, http://www.chemspider.com/Chemical-Structure.4822210.html (accessed 14:07, 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) = 1.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 199.64 (Adapted Stein & Brown method) Melting Pt (deg C): -22.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0754 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5972 log Kow used: 1.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1632.3 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 : 7.11E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.109E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.40 (KowWin est) Log Kaw used: -3.537 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.937 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6230 Biowin2 (Non-Linear Model) : 0.2007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7322 (weeks-months) Biowin4 (Primary Survey Model) : 3.5928 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5533 Biowin6 (MITI Non-Linear Model): 0.2777 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8920 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): 9.01 Pa (0.0676 mm Hg) Log Koa (Koawin est ): 4.937 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.33E-007 Octanol/air (Koa) model: 2.12E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.2E-005 Mackay model : 2.66E-005 Octanol/air (Koa) model: 1.7E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.3642 E-12 cm3/molecule-sec Half-Life = 0.745 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.936 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.022522 E-17 cm3/molecule-sec Half-Life = 50.882 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1.93E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.957 Log Koc: 0.597 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 = 0.381 (BCF = 2.406) log Kow used: 1.40 (estimated) Volatilization from Water: Henry LC: 7.11E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 93.94 hours (3.914 days) Half-Life from Model Lake : 1119 hours (46.64 days) Removal In Wastewater Treatment: Total removal: 2.34 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 percent Total to Air: 0.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.29 17.6 1000 Water 43.4 900 1000 Soil 55.2 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 618 hr
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