2,6,10-Trimethyldodecane
CCC(C)CCCC(C)CCCC(C)C
InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3
YFHFHLSMISYUAQ-UHFFFAOYSA-N
CSID:18625, http://www.chemspider.com/Chemical-Structure.18625.html (accessed 07:28, Mar 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) = 7.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 228.48 (Adapted Stein & Brown method) Melting Pt (deg C): -19.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.13 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.004421 log Kow used: 7.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0013307 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.19E+001 atm-m3/mole Group Method: 6.58E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.219E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.49 (KowWin est) Log Kaw used: 2.952 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.538 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6464 Biowin2 (Non-Linear Model) : 0.4981 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7297 (weeks-months) Biowin4 (Primary Survey Model) : 3.5413 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2761 Biowin6 (MITI Non-Linear Model): 0.3095 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1226 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3431 BioHC Half-Life (days) : 22.0352 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 16.4 Pa (0.123 mm Hg) Log Koa (Koawin est ): 4.538 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.83E-007 Octanol/air (Koa) model: 8.47E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.61E-006 Mackay model : 1.46E-005 Octanol/air (Koa) model: 6.78E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.7198 E-12 cm3/molecule-sec Half-Life = 0.571 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.856 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.06E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.378E+004 Log Koc: 4.376 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 = 2.642 (BCF = 438.8) log Kow used: 7.49 (estimated) Volatilization from Water: Henry LC: 21.9 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.487 hours Half-Life from Model Lake : 138.4 hours (5.768 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.57 percent Total biodegradation: 0.22 percent Total sludge adsorption: 62.20 percent Total to Air: 37.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.302 13.7 1000 Water 2.25 900 1000 Soil 18.5 1.8e+003 1000 Sediment 78.9 8.1e+003 0 Persistence Time: 2.65e+003 hr
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