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- Double-bond stereo
(2E,4E)-2,4-Pentadecadienal
CCCCCCCCCC/C=C/C=C/C=O
InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h11-15H,2-10H2,1H3/b12-11+,14-13+
WJGSBYJVUWVJLB-LDHFCIDVSA-N
CSID:4446492, http://www.chemspider.com/Chemical-Structure.4446492.html (accessed 22:45, Jun 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) = 5.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 309.48 (Adapted Stein & Brown method) Melting Pt (deg C): 29.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00107 (Modified Grain method) Subcooled liquid VP: 0.00118 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): 0.381 log Kow used: 5.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2295 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.07E-004 atm-m3/mole Group Method: 2.23E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.217E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.79 (KowWin est) Log Kaw used: -1.431 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.221 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0347 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0284 (weeks ) Biowin4 (Primary Survey Model) : 3.9926 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9319 Biowin6 (MITI Non-Linear Model): 0.9452 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5012 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.157 Pa (0.00118 mm Hg) Log Koa (Koawin est ): 7.221 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.91E-005 Octanol/air (Koa) model: 4.08E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000688 Mackay model : 0.00152 Octanol/air (Koa) model: 0.000327 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 77.5143 E-12 cm3/molecule-sec Half-Life = 0.138 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.656 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.842400 E-17 cm3/molecule-sec Half-Life = 1.360 Days (at 7E11 mol/cm3) Half-Life = 32.650 Hrs Fraction sorbed to airborne particulates (phi): 0.00111 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4281 Log Koc: 3.632 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 = 2.757 (BCF = 571.6) log Kow used: 5.79 (estimated) Volatilization from Water: Henry LC: 0.000223 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.437 hours Half-Life from Model Lake : 184.3 hours (7.681 days) Removal In Wastewater Treatment: Total removal: 91.08 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.98 percent Total to Air: 0.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.211 3.01 1000 Water 8.68 360 1000 Soil 45.1 720 1000 Sediment 46 3.24e+003 0 Persistence Time: 768 hr
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