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- Double-bond stereo
4-Methyl-N-[(5Z)-2,2,5'-trimethyl-3,3'-bifuran-5(2H)-ylidene]benzenesulfonamide
O=S(=O)(/N=C2\OC(C(/c1cc(oc1)C)=C2)(C)C)c3ccc(cc3)C
InChI=1S/C18H19NO4S/c1-12-5-7-15(8-6-12)24(20,21)19-17-10-16(18(3,4)23-17)14-9-13(2)22-11-14/h5-11H,1-4H3/b19-17-
HBNCGVMVMANWHE-ZPHPHTNESA-N
CSID:9534858, http://www.chemspider.com/Chemical-Structure.9534858.html (accessed 04:41, Jun 2, 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) = 5.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 453.54 (Adapted Stein & Brown method) Melting Pt (deg C): 190.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.32E-009 (Modified Grain method) Subcooled liquid VP: 4.01E-007 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): 0.06568 log Kow used: 5.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.025722 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.07E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.065E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.86 (KowWin est) Log Kaw used: -5.072 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.932 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5085 Biowin2 (Non-Linear Model) : 0.0783 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0740 (months ) Biowin4 (Primary Survey Model) : 3.0589 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1086 Biowin6 (MITI Non-Linear Model): 0.0035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0469 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): 5.35E-005 Pa (4.01E-007 mm Hg) Log Koa (Koawin est ): 10.932 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0561 Octanol/air (Koa) model: 0.021 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.67 Mackay model : 0.818 Octanol/air (Koa) model: 0.627 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 188.6142 E-12 cm3/molecule-sec Half-Life = 0.057 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.680 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.744 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.507E+004 Log Koc: 4.399 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 = 3.810 (BCF = 6461) log Kow used: 5.86 (estimated) Volatilization from Water: Henry LC: 2.07E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5259 hours (219.1 days) Half-Life from Model Lake : 5.752E+004 hours (2397 days) Removal In Wastewater Treatment: Total removal: 91.45 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.69 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 0.0156 1.23 1000 Water 3.51 1.44e+003 1000 Soil 40.1 2.88e+003 1000 Sediment 56.4 1.3e+004 0 Persistence Time: 3.58e+003 hr
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