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- Double-bond stereo
N',N''-1,4-Cyclohexanediylidenebis[4-(2-methyl-2-propanyl)benzohydrazide]
CC(C)(C)c1ccc(cc1)C(=O)NN=C2CCC(=NNC(=O)c3ccc(cc3)C(C)(C)C)CC2
InChI=1S/C28H36N4O2/c1-27(2,3)21-11-7-19(8-12-21)25(33)31-29-23-15-17-24(18-16-23)30-32-26(34)20-9-13-22(14-10-20)28(4,5)6/h7-14H,15-18H2,1-6H3,(H,31,33)(H,32,34)/b29-23-,30-24+
OOBVBXGZEJFLOF-UEUMJKGWSA-N
CSID:2361650, http://www.chemspider.com/Chemical-Structure.2361650.html (accessed 19:19, 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) = 8.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 663.66 (Adapted Stein & Brown method) Melting Pt (deg C): 289.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.82E-015 (Modified Grain method) Subcooled liquid VP: 1.56E-012 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): 3.817e-005 log Kow used: 8.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.001734 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.15E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.890E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.81 (KowWin est) Log Kaw used: -9.427 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.237 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1604 Biowin2 (Non-Linear Model) : 0.0009 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7570 (months ) Biowin4 (Primary Survey Model) : 2.8763 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3759 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5533 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): 2.08E-010 Pa (1.56E-012 mm Hg) Log Koa (Koawin est ): 18.237 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.44E+004 Octanol/air (Koa) model: 4.24E+005 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 = 25.4878 E-12 cm3/molecule-sec Half-Life = 0.420 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.036 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 : 4.943E+006 Log Koc: 6.694 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 = 2.329 (BCF = 213.5) log Kow used: 8.81 (estimated) Volatilization from Water: Henry LC: 9.15E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.373E+008 hours (5.722E+006 days) Half-Life from Model Lake : 1.498E+009 hours (6.242E+007 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.0598 10.1 1000 Water 1.31 1.44e+003 1000 Soil 33.8 2.88e+003 1000 Sediment 64.8 1.3e+004 0 Persistence Time: 5.11e+003 hr
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