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- Double-bond stereo
(1Z,3Z,5Z,7Z)-1,3,5,7-Cyclononatetraene
C\1/C=C\C=C/C=C\C=C1
InChI=1S/C9H10/c1-2-4-6-8-9-7-5-3-1/h1-8H,9H2/b3-1-,4-2-,7-5-,8-6-
GORPVKZVZYAFSO-KZPCVFJPSA-N
CSID:11341386, http://www.chemspider.com/Chemical-Structure.11341386.html (accessed 18:30, Apr 25, 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) = 3.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 175.95 (Adapted Stein & Brown method) Melting Pt (deg C): -44.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.59 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 17.2 log Kow used: 3.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 118.61 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-001 atm-m3/mole Group Method: 1.51E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.437E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.79 (KowWin est) Log Kaw used: 0.616 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.174 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6913 Biowin2 (Non-Linear Model) : 0.7909 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9380 (weeks ) Biowin4 (Primary Survey Model) : 3.6772 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4298 Biowin6 (MITI Non-Linear Model): 0.3962 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1279 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5254 BioHC Half-Life (days) : 3.3529 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 193 Pa (1.45 mm Hg) Log Koa (Koawin est ): 3.174 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.55E-008 Octanol/air (Koa) model: 3.66E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.6E-007 Mackay model : 1.24E-006 Octanol/air (Koa) model: 2.93E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 242.3340 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.530 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 10.530000 E-17 cm3/molecule-sec Half-Life = 0.109 Days (at 7E11 mol/cm3) Half-Life = 2.612 Hrs Fraction sorbed to airborne particulates (phi): 9.01E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1038 Log Koc: 3.016 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 = 2.217 (BCF = 165) log Kow used: 3.79 (estimated) Volatilization from Water: Henry LC: 0.00151 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.531 hours Half-Life from Model Lake : 107.9 hours (4.494 days) Removal In Wastewater Treatment: Total removal: 48.95 percent Total biodegradation: 0.18 percent Total sludge adsorption: 17.91 percent Total to Air: 30.86 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.142 0.754 1000 Water 17.1 360 1000 Soil 81.3 720 1000 Sediment 1.39 3.24e+003 0 Persistence Time: 384 hr
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