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N-(2-Ethoxyphenyl)-2-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}hydrazinecarboxamide
CCOc1ccccc1NC(=O)NNS(=O)(=O)c2ccc(cc2)C(C)(C)C
InChI=1S/C19H25N3O4S/c1-5-26-17-9-7-6-8-16(17)20-18(23)21-22-27(24,25)15-12-10-14(11-13-15)19(2,3)4/h6-13,22H,5H2,1-4H3,(H2,20,21,23)
QPJGLJHVQQMHTM-UHFFFAOYSA-N
CSID:1646858, http://www.chemspider.com/Chemical-Structure.1646858.html (accessed 03:35, Jul 6, 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) = 3.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 552.46 (Adapted Stein & Brown method) Melting Pt (deg C): 237.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.47E-012 (Modified Grain method) Subcooled liquid VP: 1.26E-009 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): 3.059 log Kow used: 3.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.4484 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.09E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.090E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.58 (KowWin est) Log Kaw used: -12.068 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.648 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5091 Biowin2 (Non-Linear Model) : 0.1166 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0638 (months ) Biowin4 (Primary Survey Model) : 3.2066 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4459 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3759 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): 1.68E-007 Pa (1.26E-009 mm Hg) Log Koa (Koawin est ): 15.648 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 17.9 Octanol/air (Koa) model: 1.09E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.4931 E-12 cm3/molecule-sec Half-Life = 0.235 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.821 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.251E+004 Log Koc: 4.097 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 = 2.053 (BCF = 112.9) log Kow used: 3.58 (estimated) Volatilization from Water: Henry LC: 2.09E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.543E+010 hours (2.309E+009 days) Half-Life from Model Lake : 6.047E+011 hours (2.519E+010 days) Removal In Wastewater Treatment: Total removal: 14.98 percent Total biodegradation: 0.20 percent Total sludge adsorption: 14.78 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 0.000111 5.64 1000 Water 9.06 1.44e+003 1000 Soil 90 2.88e+003 1000 Sediment 0.955 1.3e+004 0 Persistence Time: 2.84e+003 hr
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