- Double-bond stereo
(2E)-2-Undecenal
O=C/C=C/CCCCCCCC CopyCopied
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+ CopyCopied
PANBRUWVURLWGY-MDZDMXLPSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(2E)-Undec-2-enal
(2E)-undecenal
258-559-3 [EINECS]
2-Undecen-1-al
2-Undecenal [ACD/IUPAC Name]
2-undecenal, (2E)-
2-Undecenal, (E)-
Hendecenal
Undec-2-enal
undecenal
Undecenoic aldehyde
(E)-2-undecenal
(E)-undec-2-enal
1337-83-3 [RN]
1762239
215-656-5 [EINECS]
219-564-6 [EINECS]
2463-77-6 [RN]
53448-07-0 [RN]
Aldehyde iso C-11
TRANS-2-UNDECEN-1-AL
trans-2-Undecenal
AI3-36265 [DBID]
FEMA No. 3423 [DBID]
LMFA06000065 [DBID]
W342300_ALDRICH [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 240.39 (Adapted Stein & Brown method) Melting Pt (deg C): 2.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0454 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 22.27 log Kow used: 4.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 59.147 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.07E-004 atm-m3/mole Group Method: 2.56E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.514E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.04 (KowWin est) Log Kaw used: -1.779 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.819 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0605 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1480 (weeks ) Biowin4 (Primary Survey Model) : 4.0707 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9816 Biowin6 (MITI Non-Linear Model): 0.9705 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5962 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): 5.8 Pa (0.0435 mm Hg) Log Koa (Koawin est ): 5.819 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.17E-007 Octanol/air (Koa) model: 1.62E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.87E-005 Mackay model : 4.14E-005 Octanol/air (Koa) model: 1.29E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.5842 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 48.1682 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 2.816 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 2.665 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 0.091000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 0.182000 E-17 cm3/molecule-sec [Trans-] Half-Life = 12.593 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 6.297 Days (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 3E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 370 Log Koc: 2.568 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 = 1.410 (BCF = 25.71) log Kow used: 4.04 (estimated) Volatilization from Water: Henry LC: 0.000256 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.291 hours Half-Life from Model Lake : 155.6 hours (6.482 days) Removal In Wastewater Treatment: Total removal: 37.99 percent Total biodegradation: 0.31 percent Total sludge adsorption: 30.33 percent Total to Air: 7.35 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.741 5.53 1000 Water 18.2 360 1000 Soil 78.5 720 1000 Sediment 2.53 3.24e+003 0 Persistence Time: 435 hr
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