Try beta.chemspider
- Double-bond stereo
N'-[(E)-(2,3-Dichlorophenyl)methylene]-1-octanesulfonohydrazide
CCCCCCCCS(=O)(=O)N/N=C/c1cccc(c1Cl)Cl
InChI=1S/C15H22Cl2N2O2S/c1-2-3-4-5-6-7-11-22(20,21)19-18-12-13-9-8-10-14(16)15(13)17/h8-10,12,19H,2-7,11H2,1H3/b18-12+
KIYPMLHBBYAWBP-LDADJPATSA-N
CSID:17518243, http://www.chemspider.com/Chemical-Structure.17518243.html (accessed 23:29, 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) = 5.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 449.01 (Adapted Stein & Brown method) Melting Pt (deg C): 178.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.33E-008 (Modified Grain method) Subcooled liquid VP: 5.2E-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): 0.06834 log Kow used: 5.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.59523 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.82E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.355E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.70 (KowWin est) Log Kaw used: -4.128 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.828 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3172 Biowin2 (Non-Linear Model) : 0.0125 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2770 (weeks-months) Biowin4 (Primary Survey Model) : 3.2591 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0011 Biowin6 (MITI Non-Linear Model): 0.0081 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4370 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): 6.93E-005 Pa (5.2E-007 mm Hg) Log Koa (Koawin est ): 9.828 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0433 Octanol/air (Koa) model: 0.00165 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.61 Mackay model : 0.776 Octanol/air (Koa) model: 0.117 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.2323 E-12 cm3/molecule-sec Half-Life = 0.529 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.344 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.693 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.929E+005 Log Koc: 5.285 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 = 2.686 (BCF = 485.3) log Kow used: 5.70 (estimated) Volatilization from Water: Henry LC: 1.82E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 616.8 hours (25.7 days) Half-Life from Model Lake : 6889 hours (287 days) Removal In Wastewater Treatment: Total removal: 90.34 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.58 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 0.169 12.7 1000 Water 5.34 900 1000 Soil 45.4 1.8e+003 1000 Sediment 49.1 8.1e+003 0 Persistence Time: 2.33e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight