Try beta.chemspider
Decylcyclohexane
CCCCCCCCCCC1CCCCC1
InChI=1S/C16H32/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h16H,2-15H2,1H3
STWFZICHPLEOIC-UHFFFAOYSA-N
CSID:14942, http://www.chemspider.com/Chemical-Structure.14942.html (accessed 16:51, Apr 25, 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) = 8.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 284.13 (Adapted Stein & Brown method) Melting Pt (deg C): 28.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00377 (Modified Grain method) MP (exp database): -1.7 deg C BP (exp database): 299 deg C VP (exp database): 1.03E-03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.001358 log Kow used: 8.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00057793 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.34E+000 atm-m3/mole Group Method: 7.39E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.198E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.01 (KowWin est) Log Kaw used: 2.249 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.761 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7491 Biowin2 (Non-Linear Model) : 0.8410 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0015 (weeks ) Biowin4 (Primary Survey Model) : 3.7930 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6007 Biowin6 (MITI Non-Linear Model): 0.7280 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1121 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4616 BioHC Half-Life (days) : 28.9437 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.137 Pa (0.00103 mm Hg) Log Koa (Koawin est ): 5.761 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.18E-005 Octanol/air (Koa) model: 1.42E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000788 Mackay model : 0.00174 Octanol/air (Koa) model: 1.13E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.2958 E-12 cm3/molecule-sec Half-Life = 0.459 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.510 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00127 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.934E+004 Log Koc: 4.841 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 = 1.922 (BCF = 83.57) log Kow used: 8.01 (estimated) Volatilization from Water: Henry LC: 4.34 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.529 hours Half-Life from Model Lake : 142.3 hours (5.929 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.65 percent Total biodegradation: 0.51 percent Total sludge adsorption: 78.55 percent Total to Air: 17.59 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.381 11 1000 Water 3.79 360 1000 Soil 27.7 720 1000 Sediment 68.1 3.24e+003 0 Persistence Time: 1.23e+003 hr
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