Try beta.chemspider
- Double-bond stereo
(1E,3Z,5E,7Z,9E,11Z,13E,15Z)-1,3,5,7,9,11,13,15-Cyclohexadecaoctaene
C\1=C/C=C\C=C\C=C/C=C/C=C\C=C\C=C1
InChI=1S/C16H16/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H/b2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6-,9-7-,10-8-,11-9-,12-10+,13-11+,14-12+,15-13+,16-14-,16-15-
RDEIDWDSOWVJQA-LIPBRFHFSA-N
CSID:10381708, http://www.chemspider.com/Chemical-Structure.10381708.html (accessed 01:05, Jul 7, 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) = 6.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 317.10 (Adapted Stein & Brown method) Melting Pt (deg C): 25.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00149 (Modified Grain method) Subcooled liquid VP: 0.0015 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.04209 log Kow used: 6.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.54236 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.58E-001 atm-m3/mole Group Method: 3.22E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.703E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.37 (KowWin est) Log Kaw used: 0.810 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.560 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6484 Biowin2 (Non-Linear Model) : 0.5127 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7388 (weeks-months) Biowin4 (Primary Survey Model) : 3.5472 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1915 Biowin6 (MITI Non-Linear Model): 0.0460 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3403 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.3836 BioHC Half-Life (days) : 2.4186 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.2 Pa (0.0015 mm Hg) Log Koa (Koawin est ): 5.560 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.5E-005 Octanol/air (Koa) model: 8.91E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000542 Mackay model : 0.0012 Octanol/air (Koa) model: 7.13E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 410.3800 E-12 cm3/molecule-sec Half-Life = 0.026 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.766 Min Ozone Reaction: OVERALL Ozone Rate Constant = 3.240000 E-17 cm3/molecule-sec Half-Life = 0.354 Days (at 7E11 mol/cm3) Half-Life = 8.489 Hrs Fraction sorbed to airborne particulates (phi): 0.00087 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.537E+004 Log Koc: 4.877 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 = 4.202 (BCF = 1.593e+004) log Kow used: 6.37 (estimated) Volatilization from Water: Henry LC: 3.22E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 27.72 hours (1.155 days) Half-Life from Model Lake : 423.4 hours (17.64 days) Removal In Wastewater Treatment: Total removal: 93.23 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.44 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0105 0.583 1000 Water 2.9 900 1000 Soil 32 1.8e+003 1000 Sediment 65.1 8.1e+003 0 Persistence Time: 2.7e+003 hr
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