2,2,4,4,6,8,8-Heptamethylnonane
CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3
VCLJODPNBNEBKW-UHFFFAOYSA-N
CSID:19228, http://www.chemspider.com/Chemical-Structure.19228.html (accessed 09:11, Apr 18, 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) = 7.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 213.49 (Adapted Stein & Brown method) Melting Pt (deg C): 0.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.271 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.002046 log Kow used: 7.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0021869 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.90E+001 atm-m3/mole Group Method: 1.12E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.947E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.79 (KowWin est) Log Kaw used: 3.074 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.716 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0879 Biowin2 (Non-Linear Model) : 0.0046 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0624 (months ) Biowin4 (Primary Survey Model) : 3.0607 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3426 Biowin6 (MITI Non-Linear Model): 0.1898 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9706 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.1316 BioHC Half-Life (days) : 135.3830 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 33.5 Pa (0.251 mm Hg) Log Koa (Koawin est ): 4.716 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.96E-008 Octanol/air (Koa) model: 1.28E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.24E-006 Mackay model : 7.17E-006 Octanol/air (Koa) model: 1.02E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.6797 E-12 cm3/molecule-sec Half-Life = 1.232 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.788 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.2E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.752E+004 Log Koc: 4.243 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 = 3.725 (BCF = 5305) log Kow used: 7.79 (estimated) Volatilization from Water: Henry LC: 29 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.536 hours Half-Life from Model Lake : 142.9 hours (5.956 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.38 percent Total biodegradation: 0.24 percent Total sludge adsorption: 63.30 percent Total to Air: 35.85 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.363 29.6 1000 Water 1.63 1.44e+003 1000 Soil 19.1 2.88e+003 1000 Sediment 78.9 1.3e+004 0 Persistence Time: 4.01e+003 hr
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