Try beta.chemspider
sulfinylmethylcyclopropane
O=S=C\C1CC1
InChI=1S/C4H6OS/c5-6-3-4-1-2-4/h3-4H,1-2H2
QZJRCPWUBYYYAW-UHFFFAOYSA-N
CSID:8187428, http://www.chemspider.com/Chemical-Structure.8187428.html (accessed 14:25, May 22, 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) = -0.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 181.39 (Adapted Stein & Brown method) Melting Pt (deg C): -7.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.903 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.838e+005 log Kow used: -0.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.0397e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.34E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.162E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.61 (KowWin est) Log Kaw used: -0.751 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.141 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6989 Biowin2 (Non-Linear Model) : 0.8261 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9734 (weeks ) Biowin4 (Primary Survey Model) : 3.7004 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4095 Biowin6 (MITI Non-Linear Model): 0.4552 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4697 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): 109 Pa (0.82 mm Hg) Log Koa (Koawin est ): 0.141 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.74E-008 Octanol/air (Koa) model: 3.4E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.91E-007 Mackay model : 2.2E-006 Octanol/air (Koa) model: 2.72E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.0637 E-12 cm3/molecule-sec Half-Life = 3.491 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 41.894 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.59E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.16 Log Koc: 1.282 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: -0.61 (estimated) Volatilization from Water: Henry LC: 0.00434 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.168 hours Half-Life from Model Lake : 97.49 hours (4.062 days) Removal In Wastewater Treatment: Total removal: 63.53 percent Total biodegradation: 0.05 percent Total sludge adsorption: 0.81 percent Total to Air: 62.68 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 38.6 83.8 1000 Water 56 360 1000 Soil 5.38 720 1000 Sediment 0.103 3.24e+003 0 Persistence Time: 115 hr
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