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N-(2-Furylmethyl)-4-morpholinesulfonamide
c1cc(oc1)CNS(=O)(=O)N2CCOCC2
InChI=1S/C9H14N2O4S/c12-16(13,11-3-6-14-7-4-11)10-8-9-2-1-5-15-9/h1-2,5,10H,3-4,6-8H2
KDEJVYQVBVRWRA-UHFFFAOYSA-N
CSID:1672292, http://www.chemspider.com/Chemical-Structure.1672292.html (accessed 06:27, Jun 1, 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) = 0.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 365.09 (Adapted Stein & Brown method) Melting Pt (deg C): 136.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.31E-006 (Modified Grain method) Subcooled liquid VP: 5.77E-005 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): 1116 log Kow used: 0.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.3635e+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 : 1.87E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.251E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.04 (KowWin est) Log Kaw used: -8.117 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.157 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2829 Biowin2 (Non-Linear Model) : 0.0195 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6462 (weeks-months) Biowin4 (Primary Survey Model) : 3.4827 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0288 Biowin6 (MITI Non-Linear Model): 0.0290 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1948 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): 0.00769 Pa (5.77E-005 mm Hg) Log Koa (Koawin est ): 8.157 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00039 Octanol/air (Koa) model: 3.52E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0139 Mackay model : 0.0303 Octanol/air (Koa) model: 0.00281 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 184.1416 E-12 cm3/molecule-sec Half-Life = 0.058 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.697 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0221 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 148.6 Log Koc: 2.172 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: 0.04 (estimated) Volatilization from Water: Henry LC: 1.87E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.913E+006 hours (2.047E+005 days) Half-Life from Model Lake : 5.36E+007 hours (2.233E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00258 1.39 1000 Water 45.9 900 1000 Soil 54 1.8e+003 1000 Sediment 0.089 8.1e+003 0 Persistence Time: 968 hr
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