Try beta.chemspider
(Decyloxy)acetaldehyde
CCCCCCCCCCOCC=O
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h10H,2-9,11-12H2,1H3
SWBGVIRRFYDZBQ-UHFFFAOYSA-N
CSID:145618, http://www.chemspider.com/Chemical-Structure.145618.html (accessed 20:30, Apr 23, 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) = 3.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 270.16 (Adapted Stein & Brown method) Melting Pt (deg C): 30.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00845 (Modified Grain method) Subcooled liquid VP: 0.00937 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): 45.73 log Kow used: 3.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 173.93 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.20E-005 atm-m3/mole Group Method: 3.79E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.870E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.49 (KowWin est) Log Kaw used: -2.531 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.021 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6979 Biowin2 (Non-Linear Model) : 0.9969 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0685 (weeks ) Biowin4 (Primary Survey Model) : 4.0147 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0236 Biowin6 (MITI Non-Linear Model): 0.9757 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5640 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): 1.25 Pa (0.00937 mm Hg) Log Koa (Koawin est ): 6.021 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.4E-006 Octanol/air (Koa) model: 2.58E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.67E-005 Mackay model : 0.000192 Octanol/air (Koa) model: 2.06E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 84.1691 E-12 cm3/molecule-sec Half-Life = 0.127 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.525 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000139 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 68.48 Log Koc: 1.836 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 = 1.986 (BCF = 96.86) log Kow used: 3.49 (estimated) Volatilization from Water: Henry LC: 7.2E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 12.95 hours Half-Life from Model Lake : 260 hours (10.83 days) Removal In Wastewater Treatment: Total removal: 15.80 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.41 percent Total to Air: 3.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.373 3.05 1000 Water 21.8 360 1000 Soil 76.9 720 1000 Sediment 0.947 3.24e+003 0 Persistence Time: 442 hr
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