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- Double-bond stereo
(3E)-3-Decen-2-one
CCCCCC/C=C/C(=O)C
InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+
JRPDANVNRUIUAB-CMDGGOBGSA-N
CSID:4515603, http://www.chemspider.com/Chemical-Structure.4515603.html (accessed 18:48, May 21, 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) = 3.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 210.81 (Adapted Stein & Brown method) Melting Pt (deg C): -8.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.308 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 115.7 log Kow used: 3.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 30.971 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.69E-004 atm-m3/mole Group Method: 9.09E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.403E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.28 (KowWin est) Log Kaw used: -2.161 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.441 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7894 Biowin2 (Non-Linear Model) : 0.9011 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1341 (weeks ) Biowin4 (Primary Survey Model) : 3.8720 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6313 Biowin6 (MITI Non-Linear Model): 0.7594 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0498 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): 38 Pa (0.285 mm Hg) Log Koa (Koawin est ): 5.441 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.89E-008 Octanol/air (Koa) model: 6.78E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.85E-006 Mackay model : 6.32E-006 Octanol/air (Koa) model: 5.42E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.5661 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 64.4061 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 2.230 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.993 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 1.535625 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 3.071250 E-17 cm3/molecule-sec [Trans-] Half-Life = 17.911 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 8.955 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 4.58E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 150.7 Log Koc: 2.178 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 = 1.823 (BCF = 66.49) log Kow used: 3.28 (estimated) Volatilization from Water: Henry LC: 9.09E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.267 hours Half-Life from Model Lake : 205.2 hours (8.551 days) Removal In Wastewater Treatment: Total removal: 12.86 percent Total biodegradation: 0.14 percent Total sludge adsorption: 8.56 percent Total to Air: 4.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.457 3.57 1000 Water 21.7 360 1000 Soil 77.2 720 1000 Sediment 0.62 3.24e+003 0 Persistence Time: 433 hr
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