6-Dodecanylcyclohexane
CCCCCCC(CCCCC)C1CCCCC1
InChI=1S/C18H36/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h17-18H,3-16H2,1-2H3
WVSLTHYDXYKDSO-UHFFFAOYSA-N
CSID:457333, http://www.chemspider.com/Chemical-Structure.457333.html (accessed 09:35, Mar 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) = 8.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 305.08 (Adapted Stein & Brown method) Melting Pt (deg C): 20.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00277 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0001599 log Kow used: 8.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.1883e-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 : 7.64E+000 atm-m3/mole Group Method: 1.77E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.755E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.92 (KowWin est) Log Kaw used: 2.495 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.425 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8442 Biowin2 (Non-Linear Model) : 0.9573 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2379 (weeks ) Biowin4 (Primary Survey Model) : 4.0216 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4670 Biowin6 (MITI Non-Linear Model): 0.5236 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4511 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6557 BioHC Half-Life (days) : 45.2540 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.369 Pa (0.00277 mm Hg) Log Koa (Koawin est ): 6.425 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.12E-006 Octanol/air (Koa) model: 6.53E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000293 Mackay model : 0.000649 Octanol/air (Koa) model: 5.22E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.8089 E-12 cm3/molecule-sec Half-Life = 0.399 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.788 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000471 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.215E+005 Log Koc: 5.345 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 = 0.677 (BCF = 4.755) log Kow used: 8.92 (estimated) Volatilization from Water: Henry LC: 7.64 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.622 hours Half-Life from Model Lake : 150.9 hours (6.289 days) Removal In Wastewater Treatment: Total removal: 94.90 percent Total biodegradation: 0.69 percent Total sludge adsorption: 88.39 percent Total to Air: 5.82 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.328 9.58 1000 Water 3.75 360 1000 Soil 27.8 720 1000 Sediment 68.1 3.24e+003 0 Persistence Time: 1.24e+003 hr
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