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2-Decanone
CCCCCCCCC(=O)C
InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
ZAJNGDIORYACQU-UHFFFAOYSA-N
CSID:12218, http://www.chemspider.com/Chemical-Structure.12218.html (accessed 06:31, Jun 1, 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) = 3.20 Log Kow (Exper. database match) = 3.73 Exper. Ref: Tanii,H et al. (1986) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 204.79 (Adapted Stein & Brown method) Melting Pt (deg C): -7.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.321 (Mean VP of Antoine & Grain methods) MP (exp database): 14 deg C BP (exp database): 210 deg C VP (exp database): 2.69E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 46.43 log Kow used: 3.73 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 76.8 mg/L (25 deg C) Exper. Ref: WASIK,SP ET AL (1981) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 125.34 mg/L Wat Sol (Exper. database match) = 76.80 Exper. Ref: WASIK,SP ET AL (1981) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.60E-004 atm-m3/mole Group Method: 4.45E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.422E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.73 (exp database) Log Kaw used: -1.832 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.562 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7884 Biowin2 (Non-Linear Model) : 0.8985 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1297 (weeks ) Biowin4 (Primary Survey Model) : 3.8691 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7117 Biowin6 (MITI Non-Linear Model): 0.8691 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1492 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): 35.9 Pa (0.269 mm Hg) Log Koa (Koawin est ): 5.562 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.36E-008 Octanol/air (Koa) model: 8.95E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.02E-006 Mackay model : 6.69E-006 Octanol/air (Koa) model: 7.16E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.4123 E-12 cm3/molecule-sec Half-Life = 0.862 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.341 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.86E-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 = 2.172 (BCF = 148.6) log Kow used: 3.73 (expkow database) Volatilization from Water: Henry LC: 0.000445 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.92 hours Half-Life from Model Lake : 136.7 hours (5.695 days) Removal In Wastewater Treatment: Total removal: 31.57 percent Total biodegradation: 0.21 percent Total sludge adsorption: 17.83 percent Total to Air: 13.53 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.4 19.4 1000 Water 17.5 360 1000 Soil 78.8 720 1000 Sediment 1.25 3.24e+003 0 Persistence Time: 422 hr
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