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- Double-bond stereo
(9Z)-N-Methyl-9-octadecenamide
CCCCCCCC/C=C\CCCCCCCC(=O)NC
InChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-2/h10-11H,3-9,12-18H2,1-2H3,(H,20,21)/b11-10-
NJNFUPWMCKHLRE-KHPPLWFESA-N
CSID:20138189, http://www.chemspider.com/Chemical-Structure.20138189.html (accessed 15:46, 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) = 6.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 422.62 (Adapted Stein & Brown method) Melting Pt (deg C): 159.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.69E-008 (Modified Grain method) Subcooled liquid VP: 2.33E-006 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): 0.01524 log Kow used: 6.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.052828 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.01E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.472E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.95 (KowWin est) Log Kaw used: -4.085 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.035 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9254 Biowin2 (Non-Linear Model) : 0.9660 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7903 (weeks ) Biowin4 (Primary Survey Model) : 3.8959 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6646 Biowin6 (MITI Non-Linear Model): 0.7289 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0081 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): 0.000311 Pa (2.33E-006 mm Hg) Log Koa (Koawin est ): 11.035 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00966 Octanol/air (Koa) model: 0.0266 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.259 Mackay model : 0.436 Octanol/air (Koa) model: 0.68 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 84.1308 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 91.7308 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.526 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.399 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.347 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.476E+005 Log Koc: 5.169 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 = 3.149 (BCF = 1408) log Kow used: 6.95 (estimated) Volatilization from Water: Henry LC: 2.01E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 502.5 hours (20.94 days) Half-Life from Model Lake : 5626 hours (234.4 days) Removal In Wastewater Treatment: Total removal: 93.82 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.04 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 0.0485 1.25 1000 Water 4.25 360 1000 Soil 29.4 720 1000 Sediment 66.3 3.24e+003 0 Persistence Time: 1.2e+003 hr
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