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2-(1,4-Dioxaspiro[4.5]dec-8-yl)ethanol
C1CC2(CCC1CCO)OCCO2
InChI=1S/C10H18O3/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9,11H,1-8H2
TXUGEISFHODXQL-UHFFFAOYSA-N
CSID:9980123, http://www.chemspider.com/Chemical-Structure.9980123.html (accessed 14:55, Jun 16, 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) = 2.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 284.42 (Adapted Stein & Brown method) Melting Pt (deg C): 70.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000135 (Modified Grain method) Subcooled liquid VP: 0.000365 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): 2816 log Kow used: 2.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19274 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.61E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.175E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.07 (KowWin est) Log Kaw used: -6.972 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.042 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0610 Biowin2 (Non-Linear Model) : 0.0008 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7181 (weeks-months) Biowin4 (Primary Survey Model) : 3.5355 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6194 Biowin6 (MITI Non-Linear Model): 0.6192 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5085 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0487 Pa (0.000365 mm Hg) Log Koa (Koawin est ): 9.042 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.16E-005 Octanol/air (Koa) model: 0.00027 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00222 Mackay model : 0.00491 Octanol/air (Koa) model: 0.0212 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.0218 E-12 cm3/molecule-sec Half-Life = 0.369 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.423 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00356 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.896 (BCF = 7.878) log Kow used: 2.07 (estimated) Volatilization from Water: Henry LC: 2.61E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.061E+005 hours (1.276E+004 days) Half-Life from Model Lake : 3.34E+006 hours (1.392E+005 days) Removal In Wastewater Treatment: Total removal: 2.31 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.22 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0233 8.84 1000 Water 22.2 900 1000 Soil 77.7 1.8e+003 1000 Sediment 0.0932 8.1e+003 0 Persistence Time: 1.4e+003 hr
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