2,6,8-Trimethyldecane
CCC(C)CC(C)CCCC(C)C
InChI=1S/C13H28/c1-6-12(4)10-13(5)9-7-8-11(2)3/h11-13H,6-10H2,1-5H3
SWDJLVOSNCGQGB-UHFFFAOYSA-N
CSID:474900, http://www.chemspider.com/Chemical-Structure.474900.html (accessed 12:49, Mar 28, 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) = 6.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 189.53 (Adapted Stein & Brown method) Melting Pt (deg C): -42.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.848 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.04237 log Kow used: 6.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.013696 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.24E+001 atm-m3/mole Group Method: 3.30E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.855E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.51 (KowWin est) Log Kaw used: 2.705 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.805 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6598 Biowin2 (Non-Linear Model) : 0.5964 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7917 (weeks ) Biowin4 (Primary Survey Model) : 3.5817 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2608 Biowin6 (MITI Non-Linear Model): 0.2991 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0706 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2103 BioHC Half-Life (days) : 16.2298 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 103 Pa (0.776 mm Hg) Log Koa (Koawin est ): 3.805 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.9E-008 Octanol/air (Koa) model: 1.57E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.05E-006 Mackay model : 2.32E-006 Octanol/air (Koa) model: 1.25E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.8937 E-12 cm3/molecule-sec Half-Life = 0.673 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.076 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.68E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6990 Log Koc: 3.845 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 = 4.309 (BCF = 2.037e+004) log Kow used: 6.51 (estimated) Volatilization from Water: Henry LC: 12.4 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.386 hours Half-Life from Model Lake : 129 hours (5.374 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.91 percent Total biodegradation: 0.18 percent Total sludge adsorption: 59.90 percent Total to Air: 39.83 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.34 16.2 1000 Water 6.15 360 1000 Soil 16 720 1000 Sediment 76.5 3.24e+003 0 Persistence Time: 818 hr
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