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1,7-Octadiene
C=CCCCCC=C
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2
XWJBRBSPAODJER-UHFFFAOYSA-N
CSID:18338, http://www.chemspider.com/Chemical-Structure.18338.html (accessed 05:28, Apr 24, 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) = 4.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 116.39 (Adapted Stein & Brown method) Melting Pt (deg C): -71.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 22.7 (Mean VP of Antoine & Grain methods) BP (exp database): 115.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 12.17 log Kow used: 4.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.97E-001 atm-m3/mole Group Method: 3.38E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.705E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.00 (KowWin est) Log Kaw used: 1.084 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.916 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6951 Biowin2 (Non-Linear Model) : 0.8090 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9556 (weeks ) Biowin4 (Primary Survey Model) : 3.6887 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6191 Biowin6 (MITI Non-Linear Model): 0.7744 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4989 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7155 BioHC Half-Life (days) : 5.1944 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.84E+003 Pa (21.3 mm Hg) Log Koa (Koawin est ): 2.916 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.06E-009 Octanol/air (Koa) model: 2.02E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.82E-008 Mackay model : 8.45E-008 Octanol/air (Koa) model: 1.62E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.7237 E-12 cm3/molecule-sec Half-Life = 0.185 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.224 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec Half-Life = 0.477 Days (at 7E11 mol/cm3) Half-Life = 11.460 Hrs Fraction sorbed to airborne particulates (phi): 6.13E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 506.7 Log Koc: 2.705 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 = 2.378 (BCF = 238.8) log Kow used: 4.00 (estimated) Volatilization from Water: Henry LC: 0.338 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.073 hours Half-Life from Model Lake : 99.73 hours (4.155 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.34 percent Total biodegradation: 0.06 percent Total sludge adsorption: 17.26 percent Total to Air: 82.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.68 3.2 1000 Water 64.2 360 1000 Soil 24 720 1000 Sediment 8.17 3.24e+003 0 Persistence Time: 95.6 hr
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