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- Double-bond stereo
N'-[(E)-(3-Bromo-4-methylphenyl)methylene]-1-methylbicyclo[4.1.0]heptane-7-carbohydrazide
O=C(N/N=C/c1ccc(c(Br)c1)C)C2C3CCCCC23C
InChI=1S/C17H21BrN2O/c1-11-6-7-12(9-14(11)18)10-19-20-16(21)15-13-5-3-4-8-17(13,15)2/h6-7,9-10,13,15H,3-5,8H2,1-2H3,(H,20,21)/b19-10+
ADTZKLYJZUMWRA-VXLYETTFSA-N
CSID:7912613, http://www.chemspider.com/Chemical-Structure.7912613.html (accessed 10:55, May 9, 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) = 5.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 453.39 (Adapted Stein & Brown method) Melting Pt (deg C): 190.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.39E-009 (Modified Grain method) Subcooled liquid VP: 4.05E-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): 0.1964 log Kow used: 5.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3071 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.729E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.27 (KowWin est) Log Kaw used: -7.212 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.482 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3417 Biowin2 (Non-Linear Model) : 0.0084 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0044 (months ) Biowin4 (Primary Survey Model) : 2.9683 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0680 Biowin6 (MITI Non-Linear Model): 0.0176 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6038 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): 5.4E-005 Pa (4.05E-007 mm Hg) Log Koa (Koawin est ): 12.482 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0556 Octanol/air (Koa) model: 0.745 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.667 Mackay model : 0.816 Octanol/air (Koa) model: 0.983 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.2382 E-12 cm3/molecule-sec Half-Life = 0.620 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.446 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.742 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.382E+005 Log Koc: 5.140 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 = 3.360 (BCF = 2292) log Kow used: 5.27 (estimated) Volatilization from Water: Henry LC: 1.5E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.295E+005 hours (3.039E+004 days) Half-Life from Model Lake : 7.958E+006 hours (3.316E+005 days) Removal In Wastewater Treatment: Total removal: 84.60 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.87 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 0.0175 14.9 1000 Water 5.18 1.44e+003 1000 Soil 66.7 2.88e+003 1000 Sediment 28.1 1.3e+004 0 Persistence Time: 3.73e+003 hr
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