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2,6,10,14-Tetramethyloctadecane
CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI=1S/C22H46/c1-7-8-13-20(4)15-10-17-22(6)18-11-16-21(5)14-9-12-19(2)3/h19-22H,7-18H2,1-6H3
PUTSHCSOTBWQAI-UHFFFAOYSA-N
CSID:454950, http://www.chemspider.com/Chemical-Structure.454950.html (accessed 10:40, May 15, 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) = 10.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 328.80 (Adapted Stein & Brown method) Melting Pt (deg C): 16.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000824 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.67e-006 log Kow used: 10.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.6781e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.59E+002 atm-m3/mole Group Method: 8.88E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.017E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.85 (KowWin est) Log Kaw used: 3.813 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.037 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7081 Biowin2 (Non-Linear Model) : 0.6087 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8111 (weeks ) Biowin4 (Primary Survey Model) : 3.6687 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1808 Biowin6 (MITI Non-Linear Model): 0.1722 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3106 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8692 BioHC Half-Life (days) : 73.9989 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.11 Pa (0.000824 mm Hg) Log Koa (Koawin est ): 7.037 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.73E-005 Octanol/air (Koa) model: 2.67E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000985 Mackay model : 0.00218 Octanol/air (Koa) model: 0.000214 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.8873 E-12 cm3/molecule-sec Half-Life = 0.370 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.443 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00158 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.516E+006 Log Koc: 6.181 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 = 0.500 (BCF = 3.162) log Kow used: 10.85 (estimated) Volatilization from Water: Henry LC: 159 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.798 hours Half-Life from Model Lake : 167.4 hours (6.975 days) Removal In Wastewater Treatment: Total removal: 94.27 percent Total biodegradation: 0.75 percent Total sludge adsorption: 91.92 percent Total to Air: 1.60 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.305 8.89 1000 Water 3.74 360 1000 Soil 27.9 720 1000 Sediment 68.1 3.24e+003 0 Persistence Time: 1.24e+003 hr
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