Tetradecylcyclohexane
CCCCCCCCCCCCCCC1CCCCC1
InChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-19H2,1H3
NQAVPKIJZCHUNS-UHFFFAOYSA-N
CSID:14944, http://www.chemspider.com/Chemical-Structure.14944.html (accessed 11:00, Apr 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) = 9.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 339.42 (Adapted Stein & Brown method) Melting Pt (deg C): 58.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000163 (Modified Grain method) MP (exp database): 24 deg C BP (exp database): 360 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.393e-005 log Kow used: 9.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.137e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.35E+001 atm-m3/mole Group Method: 2.94E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.319E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.98 (KowWin est) Log Kaw used: 2.742 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.238 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7224 Biowin2 (Non-Linear Model) : 0.7045 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8775 (weeks ) Biowin4 (Primary Survey Model) : 3.7121 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6314 Biowin6 (MITI Non-Linear Model): 0.7470 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2160 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7272 BioHC Half-Life (days) : 53.3530 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0217 Pa (0.000163 mm Hg) Log Koa (Koawin est ): 7.238 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000138 Octanol/air (Koa) model: 4.25E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00496 Mackay model : 0.0109 Octanol/air (Koa) model: 0.00034 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.9480 E-12 cm3/molecule-sec Half-Life = 0.369 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.434 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00794 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.024E+005 Log Koc: 5.904 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: 9.98 (estimated) Volatilization from Water: Henry LC: 13.5 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.709 hours Half-Life from Model Lake : 159.1 hours (6.629 days) Removal In Wastewater Treatment: Total removal: 94.19 percent Total biodegradation: 0.76 percent Total sludge adsorption: 92.40 percent Total to Air: 1.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.304 8.87 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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