Try beta.chemspider
2-(Decyloxy)ethanol
CCCCCCCCCCOCCO
InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h13H,2-12H2,1H3
CBVDPTYIDMQDEO-UHFFFAOYSA-N
CSID:56542, http://www.chemspider.com/Chemical-Structure.56542.html (accessed 07:32, Apr 29, 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) = 3.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 289.37 (Adapted Stein & Brown method) Melting Pt (deg C): 45.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000175 (Modified Grain method) Subcooled liquid VP: 0.000266 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): 137.6 log Kow used: 3.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 159.46 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.36E-007 atm-m3/mole Group Method: 1.65E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.386E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.51 (KowWin est) Log Kaw used: -4.659 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.169 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5710 Biowin2 (Non-Linear Model) : 0.4176 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2017 (weeks ) Biowin4 (Primary Survey Model) : 3.9446 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8168 Biowin6 (MITI Non-Linear Model): 0.9109 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6002 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): 0.0355 Pa (0.000266 mm Hg) Log Koa (Koawin est ): 8.169 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.46E-005 Octanol/air (Koa) model: 3.62E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00305 Mackay model : 0.00672 Octanol/air (Koa) model: 0.00289 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.9917 E-12 cm3/molecule-sec Half-Life = 0.334 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.012 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00488 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 32.83 Log Koc: 1.516 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 = 2.005 (BCF = 101.2) log Kow used: 3.51 (estimated) Volatilization from Water: Henry LC: 1.65E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5049 hours (210.4 days) Half-Life from Model Lake : 5.52E+004 hours (2300 days) Removal In Wastewater Treatment: Total removal: 13.27 percent Total biodegradation: 0.19 percent Total sludge adsorption: 13.07 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.579 8.02 1000 Water 22.8 360 1000 Soil 75.6 720 1000 Sediment 1.03 3.24e+003 0 Persistence Time: 512 hr
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