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- Double-bond stereo
(2E)-2-Benzylidene-1,1-dicyclohexylhydrazine
N(=C/c1ccccc1)\N(C2CCCCC2)C3CCCCC3
InChI=1S/C19H28N2/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2/b20-16+
NMKLQKDQQHZAQK-CAPFRKAQSA-N
CSID:7885085, http://www.chemspider.com/Chemical-Structure.7885085.html (accessed 19:56, Apr 29, 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) = 6.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 375.74 (Adapted Stein & Brown method) Melting Pt (deg C): 103.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.45E-006 (Modified Grain method) Subcooled liquid VP: 3.21E-005 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): 0.08374 log Kow used: 6.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.5839 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.19E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.436E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.15 (KowWin est) Log Kaw used: -3.313 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.463 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7402 Biowin2 (Non-Linear Model) : 0.6832 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5926 (weeks-months) Biowin4 (Primary Survey Model) : 3.4422 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1194 Biowin6 (MITI Non-Linear Model): 0.0620 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5110 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): 0.00428 Pa (3.21E-005 mm Hg) Log Koa (Koawin est ): 9.463 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000701 Octanol/air (Koa) model: 0.000713 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0247 Mackay model : 0.0531 Octanol/air (Koa) model: 0.054 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 75.2879 E-12 cm3/molecule-sec Half-Life = 0.142 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.705 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0389 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.362E+004 Log Koc: 4.527 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 = 4.039 (BCF = 1.095e+004) log Kow used: 6.15 (estimated) Volatilization from Water: Henry LC: 1.19E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 84.7 hours (3.529 days) Half-Life from Model Lake : 1065 hours (44.39 days) Removal In Wastewater Treatment: Total removal: 92.70 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.92 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0615 3.41 1000 Water 3.51 900 1000 Soil 33.9 1.8e+003 1000 Sediment 62.6 8.1e+003 0 Persistence Time: 2.57e+003 hr
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