3-Vinyl-1-hexene
CCCC(C=C)C=C
InChI=1S/C8H14/c1-4-7-8(5-2)6-3/h5-6,8H,2-4,7H2,1H3
CTKMVHNUVMUYCS-UHFFFAOYSA-N
CSID:477643, http://www.chemspider.com/Chemical-Structure.477643.html (accessed 06:10, Jun 3, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 102.12 (Adapted Stein & Brown method) Melting Pt (deg C): -82.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 39.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 14.06 log Kow used: 3.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 47.93 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: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.084E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.92 (KowWin est) Log Kaw used: 1.084 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.836 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) : 0.4700 Biowin6 (MITI Non-Linear Model): 0.5730 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2015 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7768 BioHC Half-Life (days) : 5.9819 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.01E+003 Pa (37.6 mm Hg) Log Koa (Koawin est ): 2.836 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.98E-010 Octanol/air (Koa) model: 1.68E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.16E-008 Mackay model : 4.79E-008 Octanol/air (Koa) model: 1.35E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.7153 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): 3.47E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 466.2 Log Koc: 2.669 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 = 2.321 (BCF = 209.6) log Kow used: 3.92 (estimated) Volatilization from Water: Henry LC: 0.297 atm-m3/mole (estimated by Bond 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: 99.23 percent Total biodegradation: 0.06 percent Total sludge adsorption: 15.12 percent Total to Air: 84.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.78 3.2 1000 Water 65.8 360 1000 Soil 23.4 720 1000 Sediment 7.05 3.24e+003 0 Persistence Time: 93.3 hr
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