Try beta.chemspider
N,N'-(Methylenedi-4,1-cyclohexanediyl)dibenzenesulfonamide
c1ccc(cc1)S(=O)(=O)NC2CCC(CC2)CC3CCC(CC3)NS(=O)(=O)c4ccccc4
InChI=1S/C25H34N2O4S2/c28-32(29,24-7-3-1-4-8-24)26-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)27-33(30,31)25-9-5-2-6-10-25/h1-10,20-23,26-27H,11-19H2
ZZFAPTVDJUYTIN-UHFFFAOYSA-N
CSID:3761075, http://www.chemspider.com/Chemical-Structure.3761075.html (accessed 15:59, Jul 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) = 6.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 632.90 (Adapted Stein & Brown method) Melting Pt (deg C): 274.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.79E-014 (Modified Grain method) Subcooled liquid VP: 1.01E-011 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): 0.004052 log Kow used: 6.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.011869 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.80E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.852E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.21 (KowWin est) Log Kaw used: -8.556 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.766 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7701 Biowin2 (Non-Linear Model) : 0.4108 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1589 (months ) Biowin4 (Primary Survey Model) : 3.1496 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4084 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4582 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): 1.35E-009 Pa (1.01E-011 mm Hg) Log Koa (Koawin est ): 14.766 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.23E+003 Octanol/air (Koa) model: 143 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 75.3628 E-12 cm3/molecule-sec Half-Life = 0.142 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.703 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.883E+005 Log Koc: 5.589 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 = 4.085 (BCF = 1.216e+004) log Kow used: 6.21 (estimated) Volatilization from Water: Henry LC: 6.8E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.907E+007 hours (7.947E+005 days) Half-Life from Model Lake : 2.081E+008 hours (8.669E+006 days) Removal In Wastewater Treatment: Total removal: 92.87 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.10 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 0.0325 3.41 1000 Water 2.38 1.44e+003 1000 Soil 36.5 2.88e+003 1000 Sediment 61.1 1.3e+004 0 Persistence Time: 4.21e+003 hr
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