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1,2-Nonadiene
CCCCCCC=C=C
InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h5H,1,4,6-9H2,2H3
BBECVROIQDCRKP-UHFFFAOYSA-N
CSID:453532, http://www.chemspider.com/Chemical-Structure.453532.html (accessed 13:48, Apr 26, 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) = 4.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 142.80 (Adapted Stein & Brown method) Melting Pt (deg C): -53.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.05 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.899 log Kow used: 4.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.458 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.99E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.956E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.52 (KowWin est) Log Kaw used: 1.213 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.307 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7968 Biowin2 (Non-Linear Model) : 0.9564 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2230 (weeks ) Biowin4 (Primary Survey Model) : 3.9376 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6086 Biowin6 (MITI Non-Linear Model): 0.7671 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3482 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7050 BioHC Half-Life (days) : 5.0696 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 867 Pa (6.5 mm Hg) Log Koa (Koawin est ): 3.307 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.46E-009 Octanol/air (Koa) model: 4.98E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.25E-007 Mackay model : 2.77E-007 Octanol/air (Koa) model: 3.98E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.7041 E-12 cm3/molecule-sec Half-Life = 0.284 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.404 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.097500 E-17 cm3/molecule-sec Half-Life = 11.754 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 2.01E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 393.3 Log Koc: 2.595 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 = 2.778 (BCF = 600.3) log Kow used: 4.52 (estimated) Volatilization from Water: Henry LC: 0.399 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.139 hours Half-Life from Model Lake : 105.9 hours (4.412 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.52 percent Total biodegradation: 0.11 percent Total sludge adsorption: 34.31 percent Total to Air: 65.10 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.49 6.65 1000 Water 41.1 360 1000 Soil 38 720 1000 Sediment 16.4 3.24e+003 0 Persistence Time: 149 hr
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