1,1-Diethoxyhexane
CCCCCC(OCC)OCC
InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3
WNHOMUCDFNTSEV-UHFFFAOYSA-N
CSID:69651, http://www.chemspider.com/Chemical-Structure.69651.html (accessed 16:28, Apr 19, 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) = 3.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 195.26 (Adapted Stein & Brown method) Melting Pt (deg C): -20.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.648 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 115.3 log Kow used: 3.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 379.88 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.68E-004 atm-m3/mole Group Method: 3.97E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.289E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.17 (KowWin est) Log Kaw used: -1.823 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.993 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0783 Biowin2 (Non-Linear Model) : 0.0112 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0950 (weeks ) Biowin4 (Primary Survey Model) : 3.8459 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4436 Biowin6 (MITI Non-Linear Model): 0.4540 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2448 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): 79.2 Pa (0.594 mm Hg) Log Koa (Koawin est ): 4.993 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.79E-008 Octanol/air (Koa) model: 2.42E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.37E-006 Mackay model : 3.03E-006 Octanol/air (Koa) model: 1.93E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.6355 E-12 cm3/molecule-sec Half-Life = 0.402 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.819 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.2E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 15.97 Log Koc: 1.203 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 = 1.740 (BCF = 55) log Kow used: 3.17 (estimated) Volatilization from Water: Henry LC: 0.000368 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.448 hours Half-Life from Model Lake : 148.3 hours (6.179 days) Removal In Wastewater Treatment: Total removal: 20.34 percent Total biodegradation: 0.12 percent Total sludge adsorption: 6.74 percent Total to Air: 13.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.49 9.64 1000 Water 19.6 360 1000 Soil 78.5 720 1000 Sediment 0.451 3.24e+003 0 Persistence Time: 392 hr
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