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2,6,10-Trimethylpentadecane
CCCCCC(C)CCCC(C)CCCC(C)C
InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3
LBWPYRZGHYVSEL-UHFFFAOYSA-N
CSID:18627, http://www.chemspider.com/Chemical-Structure.18627.html (accessed 13:31, Apr 25, 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) = 8.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 280.13 (Adapted Stein & Brown method) Melting Pt (deg C): 12.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00972 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0001444 log Kow used: 8.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.904e-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 : 5.12E+001 atm-m3/mole Group Method: 1.86E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.254E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.96 (KowWin est) Log Kaw used: 3.321 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.639 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7348 Biowin2 (Non-Linear Model) : 0.7753 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9351 (weeks ) Biowin4 (Primary Survey Model) : 3.7496 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2992 Biowin6 (MITI Non-Linear Model): 0.3255 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1172 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.5423 BioHC Half-Life (days) : 34.8594 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.3 Pa (0.00972 mm Hg) Log Koa (Koawin est ): 5.639 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.31E-006 Octanol/air (Koa) model: 1.07E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.36E-005 Mackay model : 0.000185 Octanol/air (Koa) model: 8.55E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.9589 E-12 cm3/molecule-sec Half-Life = 0.466 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.591 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000134 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.492E+005 Log Koc: 5.174 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 = 0.624 (BCF = 4.206) log Kow used: 8.96 (estimated) Volatilization from Water: Henry LC: 51.2 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.628 hours Half-Life from Model Lake : 151.5 hours (6.314 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.08 percent Total biodegradation: 0.47 percent Total sludge adsorption: 76.23 percent Total to Air: 20.38 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.384 11.2 1000 Water 3.76 360 1000 Soil 27.4 720 1000 Sediment 68.4 3.24e+003 0 Persistence Time: 1.23e+003 hr
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