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1-(11-Henicosanyl)decahydronaphthalene
CCCCCCCCCCC(CCCCCCCCCC)C1CCCC2C1CCCC2
InChI=1S/C31H60/c1-3-5-7-9-11-13-15-17-22-28(23-18-16-14-12-10-8-6-4-2)31-27-21-25-29-24-19-20-26-30(29)31/h28-31H,3-27H2,1-2H3
LUUFSZIGZJTRPM-UHFFFAOYSA-N
CSID:258914, http://www.chemspider.com/Chemical-Structure.258914.html (accessed 15:26, Jun 16, 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) = 14.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 459.90 (Adapted Stein & Brown method) Melting Pt (deg C): 161.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.07E-008 (Modified Grain method) Subcooled liquid VP: 7.77E-007 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): 3.011e-010 log Kow used: 14.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.3282e-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 : 1.34E+002 atm-m3/mole Group Method: 2.62E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.807E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 14.36 (KowWin est) Log Kaw used: 3.739 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.621 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7583 Biowin2 (Non-Linear Model) : 0.6341 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8394 (weeks ) Biowin4 (Primary Survey Model) : 3.7614 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4395 Biowin6 (MITI Non-Linear Model): 0.2627 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3783 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 3.0669 BioHC Half-Life (days) : 1166.6060 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000104 Pa (7.77E-007 mm Hg) Log Koa (Koawin est ): 10.621 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.029 Octanol/air (Koa) model: 0.0103 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.511 Mackay model : 0.698 Octanol/air (Koa) model: 0.451 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.5726 E-12 cm3/molecule-sec Half-Life = 0.216 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.589 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.605 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.201E+008 Log Koc: 8.792 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: 14.36 (estimated) Volatilization from Water: Henry LC: 134 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.123 hours Half-Life from Model Lake : 197.6 hours (8.234 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 0.162 5.18 1000 Water 3.66 360 1000 Soil 29.6 720 1000 Sediment 66.6 3.24e+003 0 Persistence Time: 1.28e+003 hr
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