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2-Nonadecene
CCCCCCCCCCCCCCCCC=CC
InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5H,4,6-19H2,1-2H3
HANVOGLDKHFHBY-UHFFFAOYSA-N
CSID:217921, http://www.chemspider.com/Chemical-Structure.217921.html (accessed 15:52, 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) = 9.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 325.18 (Adapted Stein & Brown method) Melting Pt (deg C): 34.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000823 (Modified Grain method) Subcooled liquid VP: 0.000993 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): 4.655e-005 log Kow used: 9.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4858e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.68E+001 atm-m3/mole Group Method: 3.30E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.200E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.46 (KowWin est) Log Kaw used: 2.837 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.623 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8375 Biowin2 (Non-Linear Model) : 0.9484 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2069 (weeks ) Biowin4 (Primary Survey Model) : 4.0014 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6737 Biowin6 (MITI Non-Linear Model): 0.7974 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2843 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2787 BioHC Half-Life (days) : 18.9994 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.132 Pa (0.000993 mm Hg) Log Koa (Koawin est ): 6.623 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.27E-005 Octanol/air (Koa) model: 1.03E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000818 Mackay model : 0.00181 Octanol/air (Koa) model: 8.24E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 77.3706 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 84.9706 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.659 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.511 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): 0.00131 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.257E+005 Log Koc: 5.629 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 = 0.500 (BCF = 3.162) log Kow used: 9.46 (estimated) Volatilization from Water: Henry LC: 16.8 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.666 hours Half-Life from Model Lake : 155.1 hours (6.461 days) Removal In Wastewater Treatment: Total removal: 94.62 percent Total biodegradation: 0.72 percent Total sludge adsorption: 90.00 percent Total to Air: 3.90 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0494 1.29 1000 Water 3.75 360 1000 Soil 27.9 720 1000 Sediment 68.3 3.24e+003 0 Persistence Time: 1.24e+003 hr
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