3-(1-Ethoxyethoxy)-3,7-dimethyl-1-octene
CCOC(C)OC(C)(CCCC(C)C)C=C
InChI=1S/C14H28O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,12-13H,1,8-11H2,2-6H3
IJOLRHXMJRNZNP-UHFFFAOYSA-N
CSID:143361, http://www.chemspider.com/Chemical-Structure.143361.html (accessed 05:43, Mar 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) = 4.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 239.58 (Adapted Stein & Brown method) Melting Pt (deg C): 7.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0747 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.41 log Kow used: 4.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.107 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.51E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.314E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.81 (KowWin est) Log Kaw used: -1.459 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.269 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2398 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4650 (weeks-months) Biowin4 (Primary Survey Model) : 3.3453 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2202 Biowin6 (MITI Non-Linear Model): 0.1014 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8588 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): 9.56 Pa (0.0717 mm Hg) Log Koa (Koawin est ): 6.269 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.14E-007 Octanol/air (Koa) model: 4.56E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.13E-005 Mackay model : 2.51E-005 Octanol/air (Koa) model: 3.65E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.7848 E-12 cm3/molecule-sec Half-Life = 0.215 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.578 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1.82E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 111.3 Log Koc: 2.046 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 = 3.006 (BCF = 1013) log Kow used: 4.81 (estimated) Volatilization from Water: Henry LC: 0.000851 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.582 hours Half-Life from Model Lake : 154.9 hours (6.453 days) Removal In Wastewater Treatment: Total removal: 74.66 percent Total biodegradation: 0.56 percent Total sludge adsorption: 66.46 percent Total to Air: 7.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.313 4.99 1000 Water 8.18 900 1000 Soil 79.2 1.8e+003 1000 Sediment 12.3 8.1e+003 0 Persistence Time: 1.08e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight