- Double-bond stereo
(2Z,4Z,6Z,8Z)-Oxonine
c\1c\cc/o/cc\cc1
InChI=1S/C8H8O/c1-2-4-6-8-9-7-5-3-1/h1-8H/b3-1-,4-2-,7-5-,8-6-
JGTULGMLMBMIOP-KZPCVFJPSA-N
CSID:10417798, http://www.chemspider.com/Chemical-Structure.10417798.html (accessed 00:41, Apr 19, 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) = 2.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 181.58 (Adapted Stein & Brown method) Melting Pt (deg C): -35.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.23 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 304.5 log Kow used: 2.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4861 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.04E-002 atm-m3/mole Group Method: 1.44E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.386E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.95 (KowWin est) Log Kaw used: 0.094 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.856 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3430 Biowin2 (Non-Linear Model) : 0.1065 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9250 (weeks ) Biowin4 (Primary Survey Model) : 3.6646 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4057 Biowin6 (MITI Non-Linear Model): 0.3053 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0094 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 149 Pa (1.12 mm Hg) Log Koa (Koawin est ): 2.856 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.01E-008 Octanol/air (Koa) model: 1.76E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.26E-007 Mackay model : 1.61E-006 Octanol/air (Koa) model: 1.41E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 241.4000 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.532 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.620000 E-17 cm3/molecule-sec Half-Life = 0.707 Days (at 7E11 mol/cm3) Half-Life = 16.978 Hrs Fraction sorbed to airborne particulates (phi): 1.17E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 56.49 Log Koc: 1.752 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 = 1.570 (BCF = 37.14) log Kow used: 2.95 (estimated) Volatilization from Water: Henry LC: 0.000144 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.575 hours Half-Life from Model Lake : 152.7 hours (6.364 days) Removal In Wastewater Treatment: Total removal: 11.53 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.97 percent Total to Air: 6.45 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.154 1 1000 Water 21.9 360 1000 Soil 77.6 720 1000 Sediment 0.334 3.24e+003 0 Persistence Time: 405 hr
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