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- Double-bond stereo
(1Z)-2-Hexadecyl-N-hydroxycyclohexanimine
CCCCCCCCCCCCCCCCC\1CCCC/C1=N/O
InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22(21)23-24/h21,24H,2-20H2,1H3/b23-22-
URGCKECLMLWYMT-FCQUAONHSA-N
CSID:4900060, http://www.chemspider.com/Chemical-Structure.4900060.html (accessed 05:36, May 11, 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) = 8.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 429.55 (Adapted Stein & Brown method) Melting Pt (deg C): 141.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.65E-009 (Modified Grain method) Subcooled liquid VP: 2.48E-008 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): 0.000275 log Kow used: 8.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.9621e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.49E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.665E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.70 (KowWin est) Log Kaw used: -1.514 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.214 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6953 Biowin2 (Non-Linear Model) : 0.5146 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7515 (weeks ) Biowin4 (Primary Survey Model) : 3.6297 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5408 Biowin6 (MITI Non-Linear Model): 0.5146 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3880 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.31E-006 Pa (2.48E-008 mm Hg) Log Koa (Koawin est ): 10.214 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.907 Octanol/air (Koa) model: 0.00402 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.97 Mackay model : 0.986 Octanol/air (Koa) model: 0.243 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.3611 E-12 cm3/molecule-sec Half-Life = 0.352 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.228 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.978 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.719E+006 Log Koc: 6.940 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 = 0.985 (BCF = 9.657) log Kow used: 8.70 (estimated) Volatilization from Water: Henry LC: 0.000749 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.311 hours Half-Life from Model Lake : 190.2 hours (7.924 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 0.206 8.46 1000 Water 3.56 360 1000 Soil 31.6 720 1000 Sediment 64.7 3.24e+003 0 Persistence Time: 1.34e+003 hr
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