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- Double-bond stereo
(3E)-1,3-Nonadiene
CCCCC/C=C/C=C
InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7H,1,4,6,8-9H2,2H3/b7-5+
CLNYHERYALISIR-FNORWQNLSA-N
CSID:4509596, http://www.chemspider.com/Chemical-Structure.4509596.html (accessed 22:08, Apr 23, 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) = 4.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 147.88 (Adapted Stein & Brown method) Melting Pt (deg C): -58.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.64 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.817 log Kow used: 4.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20.017 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.79E-001 atm-m3/mole Group Method: 3.30E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.914E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.41 (KowWin est) Log Kaw used: 1.190 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.220 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) : 0.5716 Biowin6 (MITI Non-Linear Model): 0.6941 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1751 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.6253 BioHC Half-Life (days) : 4.2198 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 691 Pa (5.18 mm Hg) Log Koa (Koawin est ): 3.220 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.34E-009 Octanol/air (Koa) model: 4.07E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.57E-007 Mackay model : 3.47E-007 Octanol/air (Koa) model: 3.26E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.2910 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.164 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 5.260000 E-17 cm3/molecule-sec Half-Life = 0.218 Days (at 7E11 mol/cm3) Half-Life = 5.229 Hrs Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 2.52E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 934.6 Log Koc: 2.971 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 = 2.696 (BCF = 496.2) log Kow used: 4.41 (estimated) Volatilization from Water: Henry LC: 0.33 atm-m3/mole (estimated by Group 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: 99.41 percent Total biodegradation: 0.10 percent Total sludge adsorption: 30.56 percent Total to Air: 68.75 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.28 1.61 1000 Water 45.1 360 1000 Soil 39.5 720 1000 Sediment 14.1 3.24e+003 0 Persistence Time: 136 hr
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