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9-Octylheptadecane
CCCCCCCCC(CCCCCCCC)CCCCCCCC
InChI=1S/C25H52/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h25H,4-24H2,1-3H3
ZLIOPNROBPMBFI-UHFFFAOYSA-N
CSID:257915, http://www.chemspider.com/Chemical-Structure.257915.html (accessed 16:20, May 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) = 12.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 385.44 (Adapted Stein & Brown method) Melting Pt (deg C): 97.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.49E-006 (Modified Grain method) Subcooled liquid VP: 4.28E-005 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): 3.35e-008 log Kow used: 12.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.5269e-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 : 3.72E+002 atm-m3/mole Group Method: 1.44E+003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.176E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 12.55 (KowWin est) Log Kaw used: 4.182 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.368 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9049 Biowin2 (Non-Linear Model) : 0.9716 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3148 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1461 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6512 Biowin6 (MITI Non-Linear Model): 0.7895 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0241 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8845 BioHC Half-Life (days) : 76.6525 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00571 Pa (4.28E-005 mm Hg) Log Koa (Koawin est ): 8.368 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000526 Octanol/air (Koa) model: 5.73E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0186 Mackay model : 0.0404 Octanol/air (Koa) model: 0.00456 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.9932 E-12 cm3/molecule-sec Half-Life = 0.324 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.890 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0295 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.542E+007 Log Koc: 7.188 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: 12.55 (estimated) Volatilization from Water: Henry LC: 372 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.916 hours Half-Life from Model Lake : 178.4 hours (7.432 days) Removal In Wastewater Treatment: Total removal: 94.05 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.19 percent Total to Air: 0.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.496 7.78 1000 Water 5.67 208 1000 Soil 29.9 416 1000 Sediment 64 1.87e+003 0 Persistence Time: 674 hr
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