- Double-bond stereo
(9E)-1-Methoxy-9-octadecene
CCCCCCCC/C=C/CCCCCCCCOC
InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11H,3-9,12-19H2,1-2H3/b11-10+
IDBPDXGUJPANFU-ZHACJKMWSA-N
CSID:4518117, http://www.chemspider.com/Chemical-Structure.4518117.html (accessed 22:30, Apr 19, 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) = 8.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 338.24 (Adapted Stein & Brown method) Melting Pt (deg C): 56.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000257 (Modified Grain method) Subcooled liquid VP: 0.000506 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): 0.001538 log Kow used: 8.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0035304 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.37E-002 atm-m3/mole Group Method: 4.45E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.212E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.20 (KowWin est) Log Kaw used: 0.583 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.617 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3741 Biowin2 (Non-Linear Model) : 0.0699 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8645 (weeks ) Biowin4 (Primary Survey Model) : 3.6995 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6276 Biowin6 (MITI Non-Linear Model): 0.6902 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3448 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): 0.0675 Pa (0.000506 mm Hg) Log Koa (Koawin est ): 7.617 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.45E-005 Octanol/air (Koa) model: 1.02E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0016 Mackay model : 0.00354 Octanol/air (Koa) model: 0.000812 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 86.0025 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 93.6025 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.492 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.371 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): 0.00257 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.273E+004 Log Koc: 4.631 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 = 1.665 (BCF = 46.24) log Kow used: 8.20 (estimated) Volatilization from Water: Henry LC: 0.0445 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.737 hours Half-Life from Model Lake : 159.9 hours (6.662 days) Removal In Wastewater Treatment: Total removal: 94.05 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.07 percent Total to Air: 0.21 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0476 1.24 1000 Water 3.77 360 1000 Soil 28.1 720 1000 Sediment 68.1 3.24e+003 0 Persistence Time: 1.23e+003 hr
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