2,6,10,14-Tetramethylpentadecane
CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3
XOJVVFBFDXDTEG-UHFFFAOYSA-N
CSID:15182, http://www.chemspider.com/Chemical-Structure.15182.html (accessed 00:06, Apr 17, 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) = 9.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 286.36 (Adapted Stein & Brown method) Melting Pt (deg C): 12.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00438 (Modified Grain method) BP (exp database): 296 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.297e-005 log Kow used: 9.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.0046e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.79E+001 atm-m3/mole Group Method: 3.15E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.922E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.38 (KowWin est) Log Kaw used: 3.443 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.937 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6197 Biowin2 (Non-Linear Model) : 0.3091 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6058 (weeks-months) Biowin4 (Primary Survey Model) : 3.4603 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1578 Biowin6 (MITI Non-Linear Model): 0.1620 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0708 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6700 BioHC Half-Life (days) : 46.7759 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.584 Pa (0.00438 mm Hg) Log Koa (Koawin est ): 5.937 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.14E-006 Octanol/air (Koa) model: 2.12E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000186 Mackay model : 0.000411 Octanol/air (Koa) model: 1.7E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.3636 E-12 cm3/molecule-sec Half-Life = 0.439 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.268 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000298 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.307E+005 Log Koc: 5.363 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: 9.38 (estimated) Volatilization from Water: Henry LC: 67.9 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.672 hours Half-Life from Model Lake : 155.6 hours (6.485 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.09 percent Total biodegradation: 0.57 percent Total sludge adsorption: 81.76 percent Total to Air: 13.76 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.147 10.5 1000 Water 1.92 900 1000 Soil 27.3 1.8e+003 1000 Sediment 70.6 8.1e+003 0 Persistence Time: 3.07e+003 hr
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