Try beta.chemspider
2,6,10,14-Tetramethylhexadecane
CCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3
GGYKPYDKXLHNTI-UHFFFAOYSA-N
CSID:12006, http://www.chemspider.com/Chemical-Structure.12006.html (accessed 11:02, Apr 23, 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) = 9.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 301.41 (Adapted Stein & Brown method) Melting Pt (deg C): 22.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00333 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.677e-005 log Kow used: 9.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.1254e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.02E+001 atm-m3/mole Group Method: 4.45E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.383E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.87 (KowWin est) Log Kaw used: 3.567 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.303 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6130 Biowin2 (Non-Linear Model) : 0.2682 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5748 (weeks-months) Biowin4 (Primary Survey Model) : 3.4401 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1655 Biowin6 (MITI Non-Linear Model): 0.1653 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0449 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7364 BioHC Half-Life (days) : 54.5033 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.444 Pa (0.00333 mm Hg) Log Koa (Koawin est ): 6.303 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.76E-006 Octanol/air (Koa) model: 4.93E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000244 Mackay model : 0.00054 Octanol/air (Koa) model: 3.95E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.0612 E-12 cm3/molecule-sec Half-Life = 0.410 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.925 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000392 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.457E+005 Log Koc: 5.649 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: 9.87 (estimated) Volatilization from Water: Henry LC: 90.2 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.715 hours Half-Life from Model Lake : 159.7 hours (6.653 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.13 percent Total biodegradation: 0.67 percent Total sludge adsorption: 87.11 percent Total to Air: 7.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.136 9.85 1000 Water 1.91 900 1000 Soil 27.7 1.8e+003 1000 Sediment 70.3 8.1e+003 0 Persistence Time: 3.09e+003 hr
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