Cyclopropyl(methyl)sulfamyl chloride
CN(C1CC1)S(=O)(=O)Cl
InChI=1S/C4H8ClNO2S/c1-6(4-2-3-4)9(5,7)8/h4H,2-3H2,1H3
RUNYZAPPVYTBFW-UHFFFAOYSA-N
CSID:11508308, http://www.chemspider.com/Chemical-Structure.11508308.html (accessed 09:49, 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) = 2.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 238.28 (Adapted Stein & Brown method) Melting Pt (deg C): 47.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0301 (Modified Grain method) Subcooled liquid VP: 0.0484 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): 261.8 log Kow used: 2.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.8245e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.56E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.566E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.78 (KowWin est) Log Kaw used: -2.643 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.423 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6668 Biowin2 (Non-Linear Model) : 0.6457 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8243 (weeks ) Biowin4 (Primary Survey Model) : 3.6030 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2598 Biowin6 (MITI Non-Linear Model): 0.1183 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): 6.45 Pa (0.0484 mm Hg) Log Koa (Koawin est ): 5.423 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.65E-007 Octanol/air (Koa) model: 6.5E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.68E-005 Mackay model : 3.72E-005 Octanol/air (Koa) model: 5.2E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.8672 E-12 cm3/molecule-sec Half-Life = 5.728 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 68.739 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.7E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.178 Log Koc: 0.913 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 = 1.439 (BCF = 27.5) log Kow used: 2.78 (estimated) Volatilization from Water: Henry LC: 5.56E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 15.04 hours Half-Life from Model Lake : 273.3 hours (11.39 days) Removal In Wastewater Treatment: Total removal: 6.93 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.01 percent Total to Air: 2.81 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.65 137 1000 Water 23.3 360 1000 Soil 70.8 720 1000 Sediment 0.261 3.24e+003 0 Persistence Time: 452 hr
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