2,6-Dimethylnonane
CCCC(C)CCCC(C)C
InChI=1S/C11H24/c1-5-7-11(4)9-6-8-10(2)3/h10-11H,5-9H2,1-4H3
MGNGOEWESNDQAN-UHFFFAOYSA-N
CSID:26475, http://www.chemspider.com/Chemical-Structure.26475.html (accessed 01:37, Apr 18, 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) = 5.60 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 160.17 (Adapted Stein & Brown method) Melting Pt (deg C): -54.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.26 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.3433 log Kow used: 5.60 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.082168 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.04E+000 atm-m3/mole Group Method: 1.38E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.953E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.60 (KowWin est) Log Kaw used: 2.459 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.141 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6731 Biowin2 (Non-Linear Model) : 0.6876 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8537 (weeks ) Biowin4 (Primary Survey Model) : 3.6222 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3945 Biowin6 (MITI Non-Linear Model): 0.5097 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3160 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0162 BioHC Half-Life (days) : 10.3803 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 399 Pa (2.99 mm Hg) Log Koa (Koawin est ): 3.141 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.53E-009 Octanol/air (Koa) model: 3.4E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.72E-007 Mackay model : 6.02E-007 Octanol/air (Koa) model: 2.72E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.7914 E-12 cm3/molecule-sec Half-Life = 0.836 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.034 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.37E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2340 Log Koc: 3.369 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 = 3.609 (BCF = 4067) log Kow used: 5.60 (estimated) Volatilization from Water: Henry LC: 7.04 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.276 hours Half-Life from Model Lake : 118.8 hours (4.948 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.96 percent Total biodegradation: 0.17 percent Total sludge adsorption: 56.44 percent Total to Air: 43.35 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.97 20.1 1000 Water 17.2 360 1000 Soil 12.2 720 1000 Sediment 65.6 3.24e+003 0 Persistence Time: 335 hr
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