Try beta.chemspider
2-Propene-1-sulfonamide
C=CCS(=O)(=O)N
InChI=1S/C3H7NO2S/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6)
UNYWISZSMFIKJI-UHFFFAOYSA-N
CSID:11485408, http://www.chemspider.com/Chemical-Structure.11485408.html (accessed 15:19, May 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) = -0.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 218.50 (Adapted Stein & Brown method) Melting Pt (deg C): 36.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.103 (Modified Grain method) Subcooled liquid VP: 0.132 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.556e+005 log Kow used: -0.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.052e+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 : 2.77E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.055E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.23 (KowWin est) Log Kaw used: -3.946 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.716 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6899 Biowin2 (Non-Linear Model) : 0.7839 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9314 (weeks ) Biowin4 (Primary Survey Model) : 3.6729 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4197 Biowin6 (MITI Non-Linear Model): 0.3877 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6415 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): 17.6 Pa (0.132 mm Hg) Log Koa (Koawin est ): 3.716 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.7E-007 Octanol/air (Koa) model: 1.28E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.16E-006 Mackay model : 1.36E-005 Octanol/air (Koa) model: 1.02E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.5852 E-12 cm3/molecule-sec Half-Life = 0.318 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.822 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 9.9E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 22.44 Log Koc: 1.351 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: -0.23 (estimated) Volatilization from Water: Henry LC: 2.77E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 233.8 hours (9.74 days) Half-Life from Model Lake : 2643 hours (110.1 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.16 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.841 5.73 1000 Water 48.1 360 1000 Soil 51 720 1000 Sediment 0.0885 3.24e+003 0 Persistence Time: 333 hr
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