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- Double-bond stereo
(6E)-6-Heptadecene
CCCCCCCCCC/C=C/CCCCC
InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-17H2,1-2H3/b13-11+
OFJXSNWZKGKJNN-ACCUITESSA-N
CSID:4509190, http://www.chemspider.com/Chemical-Structure.4509190.html (accessed 14:03, Jun 16, 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) = 8.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 297.28 (Adapted Stein & Brown method) Melting Pt (deg C): 12.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00411 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0004599 log Kow used: 8.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00026376 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.55E+000 atm-m3/mole Group Method: 1.99E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.804E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.48 (KowWin est) Log Kaw used: 2.592 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.888 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8509 Biowin2 (Non-Linear Model) : 0.9648 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2689 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0418 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6583 Biowin6 (MITI Non-Linear Model): 0.7893 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2323 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.1459 BioHC Half-Life (days) : 13.9939 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.548 Pa (0.00411 mm Hg) Log Koa (Koawin est ): 5.888 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.47E-006 Octanol/air (Koa) model: 1.9E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000198 Mackay model : 0.000438 Octanol/air (Koa) model: 1.52E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 74.0473 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 81.6473 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.733 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.572 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): 0.000318 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.252E+005 Log Koc: 5.097 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 = 1.289 (BCF = 19.46) log Kow used: 8.48 (estimated) Volatilization from Water: Henry LC: 9.55 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.576 hours Half-Life from Model Lake : 146.7 hours (6.111 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.24 percent Total biodegradation: 0.56 percent Total sludge adsorption: 80.91 percent Total to Air: 14.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0939 1.31 1000 Water 5.74 208 1000 Soil 29.8 416 1000 Sediment 64.4 1.87e+003 0 Persistence Time: 666 hr
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