Try beta.chemspider
- Double-bond stereo
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-Tetramethyl-2,4,6,8,10,12,14,16,18-icosanonaenedial
O=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=O)C)C)C)C
InChI=1S/C24H28O2/c1-21(13-7-15-23(3)17-9-19-25)11-5-6-12-22(2)14-8-16-24(4)18-10-20-26/h5-20H,1-4H3/b6-5+,13-7+,14-8+,17-9+,18-10+,21-11+,22-12+,23-15+,24-16+
IMKFJOUBSRCEPD-DBTAAFGWSA-N
CSID:8390938, http://www.chemspider.com/Chemical-Structure.8390938.html (accessed 14:50, Apr 26, 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) = 7.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 459.17 (Adapted Stein & Brown method) Melting Pt (deg C): 83.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.98E-008 (Modified Grain method) Subcooled liquid VP: 2.91E-007 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): 0.002809 log Kow used: 7.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.4324 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.08E-007 atm-m3/mole Group Method: 1.77E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.303E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.44 (KowWin est) Log Kaw used: -4.481 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.921 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1509 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4737 (weeks-months) Biowin4 (Primary Survey Model) : 3.7382 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5865 Biowin6 (MITI Non-Linear Model): 0.1721 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2664 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): 3.88E-005 Pa (2.91E-007 mm Hg) Log Koa (Koawin est ): 11.921 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0773 Octanol/air (Koa) model: 0.205 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.736 Mackay model : 0.861 Octanol/air (Koa) model: 0.942 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 517.3347 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 519.5311 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 14.886 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 14.823 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 16.651400 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 16.665400 E-17 cm3/molecule-sec [Trans-] Half-Life = 99.105 Min (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 99.022 Min (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.799 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.317E+004 Log Koc: 4.864 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 = 4.209 (BCF = 1.619e+004) log Kow used: 7.44 (estimated) Volatilization from Water: Henry LC: 1.77E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.175E+008 hours (2.573E+007 days) Half-Life from Model Lake : 6.736E+009 hours (2.807E+008 days) Removal In Wastewater Treatment: Total removal: 93.97 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.19 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.35e-005 0.382 1000 Water 1.66 900 1000 Soil 40.5 1.8e+003 1000 Sediment 57.9 8.1e+003 0 Persistence Time: 4.05e+003 hr
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