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- Double-bond stereo
N'~1~,N'~8~-Di(tricyclo[3.3.1.1~3,7~]dec-2-ylidene)octanedihydrazide
C1C2CC3CC1CC(C2)C3=NNC(=O)CCCCCCC(=O)NN=C4C5CC6CC(C5)CC4C6
InChI=1S/C28H42N4O2/c33-25(29-31-27-21-9-17-7-18(11-21)12-22(27)10-17)5-3-1-2-4-6-26(34)30-32-28-23-13-19-8-20(15-23)16-24(28)14-19/h17-24H,1-16H2,(H,29,33)(H,30,34)/b31-27-,32-28-
MDJDGXIEHQAZSO-YDWWYXFJSA-N
CSID:2757931, http://www.chemspider.com/Chemical-Structure.2757931.html (accessed 05:32, May 8, 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) = 7.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 656.51 (Adapted Stein & Brown method) Melting Pt (deg C): 285.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.11E-015 (Modified Grain method) Subcooled liquid VP: 2.41E-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): 0.0004486 log Kow used: 7.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0006958 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.57E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.257E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.51 (KowWin est) Log Kaw used: -8.408 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.918 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5254 Biowin2 (Non-Linear Model) : 0.0261 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1679 (months ) Biowin4 (Primary Survey Model) : 3.1744 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0829 Biowin6 (MITI Non-Linear Model): 0.0009 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1075 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): 3.21E-010 Pa (2.41E-012 mm Hg) Log Koa (Koawin est ): 15.918 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.34E+003 Octanol/air (Koa) model: 2.03E+003 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 = 67.5213 E-12 cm3/molecule-sec Half-Life = 0.158 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.901 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 : 6.741E+007 Log Koc: 7.829 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 = 4.108 (BCF = 1.282e+004) log Kow used: 7.51 (estimated) Volatilization from Water: Henry LC: 9.57E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.322E+007 hours (5.507E+005 days) Half-Life from Model Lake : 1.442E+008 hours (6.007E+006 days) Removal In Wastewater Treatment: Total removal: 93.98 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.20 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 0.0309 3.8 1000 Water 1.41 1.44e+003 1000 Soil 32 2.88e+003 1000 Sediment 66.5 1.3e+004 0 Persistence Time: 4.85e+003 hr
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