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Tridecylcyclohexane
CCCCCCCCCCCCCC1CCCCC1
InChI=1S/C19H38/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h19H,2-18H2,1H3
DKRUJKKWJGNYQN-UHFFFAOYSA-N
CSID:20954, http://www.chemspider.com/Chemical-Structure.20954.html (accessed 12:55, Apr 28, 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) = 9.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 326.95 (Adapted Stein & Brown method) Melting Pt (deg C): 47.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000339 (Modified Grain method) MP (exp database): 18.5 deg C BP (exp database): 346 deg C VP (exp database): 9.15E-06 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.396e-005 log Kow used: 9.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.6805e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E+001 atm-m3/mole Group Method: 2.08E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.704E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.49 (KowWin est) Log Kaw used: 2.616 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.874 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7291 Biowin2 (Non-Linear Model) : 0.7442 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9085 (weeks ) Biowin4 (Primary Survey Model) : 3.7323 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6237 Biowin6 (MITI Non-Linear Model): 0.7424 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1900 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6608 BioHC Half-Life (days) : 45.7886 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00122 Pa (9.15E-006 mm Hg) Log Koa (Koawin est ): 6.874 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00246 Octanol/air (Koa) model: 1.84E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0816 Mackay model : 0.164 Octanol/air (Koa) model: 0.000147 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.5350 E-12 cm3/molecule-sec Half-Life = 0.388 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.661 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.123 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.35E+005 Log Koc: 5.639 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: 9.49 (estimated) Volatilization from Water: Henry LC: 10.1 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.666 hours Half-Life from Model Lake : 155.1 hours (6.461 days) Removal In Wastewater Treatment: Total removal: 94.38 percent Total biodegradation: 0.74 percent Total sludge adsorption: 91.35 percent Total to Air: 2.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.319 9.32 1000 Water 3.74 360 1000 Soil 27.9 720 1000 Sediment 68.1 3.24e+003 0 Persistence Time: 1.24e+003 hr
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