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8-Methyltriacontane
CCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCC
InChI=1S/C31H64/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-31(3)29-27-25-9-7-5-2/h31H,4-30H2,1-3H3
ONPKVDRNJBCREP-UHFFFAOYSA-N
CSID:4935796, http://www.chemspider.com/Chemical-Structure.4935796.html (accessed 16:53, May 21, 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) = 15.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 455.06 (Adapted Stein & Brown method) Melting Pt (deg C): 151.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.2E-008 (Modified Grain method) Subcooled liquid VP: 1.01E-006 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.082e-011 log Kow used: 15.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.3686e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.04E+003 atm-m3/mole Group Method: 1.14E+004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.698E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 15.49 (KowWin est) Log Kaw used: 4.921 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.569 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7564 Biowin2 (Non-Linear Model) : 0.6208 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8305 (weeks ) Biowin4 (Primary Survey Model) : 3.7556 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6973 Biowin6 (MITI Non-Linear Model): 0.8129 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4978 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.2829 BioHC Half-Life (days) : 191.8372 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000135 Pa (1.01E-006 mm Hg) Log Koa (Koawin est ): 10.569 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0223 Octanol/air (Koa) model: 0.0091 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.446 Mackay model : 0.641 Octanol/air (Koa) model: 0.421 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.0607 E-12 cm3/molecule-sec Half-Life = 0.260 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.126 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.543 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.793E+008 Log Koc: 8.763 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: 15.49 (estimated) Volatilization from Water: Henry LC: 2.04E+003 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.133 hours Half-Life from Model Lake : 198.5 hours (8.272 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.191 6.25 1000 Water 3.65 360 1000 Soil 29.6 720 1000 Sediment 66.5 3.24e+003 0 Persistence Time: 1.28e+003 hr
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