1-Cyclopropylethanethione
CC(=S)C1CC1
InChI=1S/C5H8S/c1-4(6)5-2-3-5/h5H,2-3H2,1H3
SIFMNNCAEYQIMI-UHFFFAOYSA-N
CSID:10302167, http://www.chemspider.com/Chemical-Structure.10302167.html (accessed 01:47, Apr 19, 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) = 1.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 132.65 (Adapted Stein & Brown method) Melting Pt (deg C): -33.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.88 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.291e+004 log Kow used: 1.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5476.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.46E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.067E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.12 (KowWin est) Log Kaw used: 0.422 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.698 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6999 Biowin2 (Non-Linear Model) : 0.8301 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9778 (weeks ) Biowin4 (Primary Survey Model) : 3.7032 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4664 Biowin6 (MITI Non-Linear Model): 0.4992 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5559 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): 1.09E+003 Pa (8.21 mm Hg) Log Koa (Koawin est ): 0.698 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.74E-009 Octanol/air (Koa) model: 1.22E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.9E-008 Mackay model : 2.19E-007 Octanol/air (Koa) model: 9.8E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2960 E-12 cm3/molecule-sec Half-Life = 36.135 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.59E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10.34 Log Koc: 1.015 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 = 0.162 (BCF = 1.453) log Kow used: 1.12 (estimated) Volatilization from Water: Henry LC: 0.0646 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.03 hours Half-Life from Model Lake : 95.17 hours (3.965 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.16 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.34 percent Total to Air: 95.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 54.6 867 1000 Water 44.4 360 1000 Soil 0.874 720 1000 Sediment 0.0914 3.24e+003 0 Persistence Time: 139 hr
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