Try beta.chemspider
2,2-Dimethoxyundecane
CCCCCCCCCC(C)(OC)OC
InChI=1S/C13H28O2/c1-5-6-7-8-9-10-11-12-13(2,14-3)15-4/h5-12H2,1-4H3
YNICHAOCDICNOT-UHFFFAOYSA-N
CSID:98800, http://www.chemspider.com/Chemical-Structure.98800.html (accessed 02:22, Jul 7, 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) = 5.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 244.60 (Adapted Stein & Brown method) Melting Pt (deg C): 19.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.058 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.051 log Kow used: 5.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.6905 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.60E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.571E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.31 (KowWin est) Log Kaw used: -1.454 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.764 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1257 Biowin2 (Non-Linear Model) : 0.0011 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7899 (weeks ) Biowin4 (Primary Survey Model) : 3.6317 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5360 Biowin6 (MITI Non-Linear Model): 0.4944 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4407 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): 7.49 Pa (0.0562 mm Hg) Log Koa (Koawin est ): 6.764 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4E-007 Octanol/air (Koa) model: 1.43E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.45E-005 Mackay model : 3.2E-005 Octanol/air (Koa) model: 0.000114 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.9505 E-12 cm3/molecule-sec Half-Life = 0.671 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.047 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.32E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 81.97 Log Koc: 1.914 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 = 2.388 (BCF = 244.6) log Kow used: 5.31 (estimated) Volatilization from Water: Henry LC: 0.00086 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.502 hours Half-Life from Model Lake : 150.6 hours (6.277 days) Removal In Wastewater Treatment: Total removal: 86.31 percent Total biodegradation: 0.69 percent Total sludge adsorption: 82.54 percent Total to Air: 3.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.49 16.1 1000 Water 11.6 360 1000 Soil 61.7 720 1000 Sediment 25.3 3.24e+003 0 Persistence Time: 561 hr
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