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Octacosane
CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
ZYURHZPYMFLWSH-UHFFFAOYSA-N
CSID:11902, http://www.chemspider.com/Chemical-Structure.11902.html (accessed 01:49, Apr 27, 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) = 14.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 427.25 (Adapted Stein & Brown method) Melting Pt (deg C): 133.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.55E-006 (Modified Grain method) MP (exp database): 64.5 deg C BP (exp database): 431.6 deg C VP (exp database): 1.60E-09 mm Hg at 25 deg C Subcooled liquid VP: 3.93E-009 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.844e-010 log Kow used: 14.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.9477e-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 : 8.70E+002 atm-m3/mole Group Method: 3.38E+003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.104E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 14.09 (KowWin est) Log Kaw used: 4.551 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.539 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7765 Biowin2 (Non-Linear Model) : 0.7484 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9234 (weeks ) Biowin4 (Primary Survey Model) : 3.8163 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8233 Biowin6 (MITI Non-Linear Model): 0.9117 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7172 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.0224 BioHC Half-Life (days) : 105.3001 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.24E-007 Pa (3.93E-009 mm Hg) Log Koa (Koawin est ): 9.539 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.73 Octanol/air (Koa) model: 0.000849 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 0.0636 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 36.5454 E-12 cm3/molecule-sec Half-Life = 0.293 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.512 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.051E+008 Log Koc: 8.022 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: 14.09 (estimated) Volatilization from Water: Henry LC: 870 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.027 hours Half-Life from Model Lake : 188.7 hours (7.863 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.243 7.02 1000 Water 3.73 360 1000 Soil 28.1 720 1000 Sediment 67.9 3.24e+003 0 Persistence Time: 1.25e+003 hr
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