2,6,10-Trimethyltetradecane
CCCCC(C)CCCC(C)CCCC(C)C
InChI=1S/C17H36/c1-6-7-11-16(4)13-9-14-17(5)12-8-10-15(2)3/h15-17H,6-14H2,1-5H3
IMTCMWSWXFQQDL-UHFFFAOYSA-N
CSID:77374, http://www.chemspider.com/Chemical-Structure.77374.html (accessed 08:48, Apr 19, 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) = 8.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 263.82 (Adapted Stein & Brown method) Melting Pt (deg C): 1.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0217 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0004533 log Kow used: 8.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00012703 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.85E+001 atm-m3/mole Group Method: 1.31E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.515E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.47 (KowWin est) Log Kaw used: 3.197 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.273 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7415 Biowin2 (Non-Linear Model) : 0.8081 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9661 (weeks ) Biowin4 (Primary Survey Model) : 3.7699 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2915 Biowin6 (MITI Non-Linear Model): 0.3201 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1431 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4759 BioHC Half-Life (days) : 29.9170 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.92 Pa (0.0219 mm Hg) Log Koa (Koawin est ): 5.273 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.03E-006 Octanol/air (Koa) model: 4.6E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.71E-005 Mackay model : 8.22E-005 Octanol/air (Koa) model: 3.68E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.5459 E-12 cm3/molecule-sec Half-Life = 0.496 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.957 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.96E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.089E+004 Log Koc: 4.908 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 = 1.297 (BCF = 19.8) log Kow used: 8.47 (estimated) Volatilization from Water: Henry LC: 38.5 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.582 hours Half-Life from Model Lake : 147.3 hours (6.137 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.26 percent Total biodegradation: 0.35 percent Total sludge adsorption: 69.64 percent Total to Air: 28.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.422 11.9 1000 Water 3.8 360 1000 Soil 26.9 720 1000 Sediment 68.9 3.24e+003 0 Persistence Time: 1.22e+003 hr
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