Carbonothioyl dichloride
C(=S)(Cl)Cl
InChI=1S/CCl2S/c2-1(3)4
ZWZVWGITAAIFPS-UHFFFAOYSA-N
CSID:9645, http://www.chemspider.com/Chemical-Structure.9645.html (accessed 12:34, Mar 29, 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) = -0.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 109.59 (Adapted Stein & Brown method) Melting Pt (deg C): -41.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 116 (Mean VP of Antoine & Grain methods) MP (exp database): < 25 deg C BP (exp database): 73 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.407e+005 log Kow used: -0.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 54379 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.86E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.247E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.15 (KowWin est) Log Kaw used: -0.621 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.471 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4700 Biowin2 (Non-Linear Model) : 0.0887 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5987 (weeks-months) Biowin4 (Primary Survey Model) : 3.4806 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3723 Biowin6 (MITI Non-Linear Model): 0.1119 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8068 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): 1.51E+004 Pa (113 mm Hg) Log Koa (Koawin est ): 0.471 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.99E-010 Octanol/air (Koa) model: 7.26E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.19E-009 Mackay model : 1.59E-008 Octanol/air (Koa) model: 5.81E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.16E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.782 Log Koc: 0.444 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: -0.15 (estimated) Volatilization from Water: Henry LC: 0.00586 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.201 hours Half-Life from Model Lake : 103 hours (4.292 days) Removal In Wastewater Treatment: Total removal: 69.97 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.71 percent Total to Air: 69.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 49.8 1e+005 1000 Water 47.3 900 1000 Soil 2.85 1.8e+003 1000 Sediment 0.0914 8.1e+003 0 Persistence Time: 172 hr
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