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1-(Cyclohexylmethyl)-4-ethylcyclohexane
CCC1CCC(CC1)CC2CCCCC2
InChI=1S/C15H28/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h13-15H,2-12H2,1H3
NKFHIHVCTLOXCA-UHFFFAOYSA-N
CSID:126359, http://www.chemspider.com/Chemical-Structure.126359.html (accessed 10:32, May 13, 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) = 7.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 270.60 (Adapted Stein & Brown method) Melting Pt (deg C): 20.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0153 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.00722 log Kow used: 7.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.012836 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E+000 atm-m3/mole Group Method: 8.68E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.811E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.26 (KowWin est) Log Kaw used: 1.770 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.490 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6483 Biowin2 (Non-Linear Model) : 0.5124 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7387 (weeks-months) Biowin4 (Primary Survey Model) : 3.5471 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4063 Biowin6 (MITI Non-Linear Model): 0.2949 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1533 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4063 BioHC Half-Life (days) : 25.4834 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.08 Pa (0.0156 mm Hg) Log Koa (Koawin est ): 5.490 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.44E-006 Octanol/air (Koa) model: 7.59E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.21E-005 Mackay model : 0.000115 Octanol/air (Koa) model: 6.07E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.2768 E-12 cm3/molecule-sec Half-Life = 0.407 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.885 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.37E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.534E+004 Log Koc: 4.548 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 = 4.450 (BCF = 2.82e+004) log Kow used: 7.26 (estimated) Volatilization from Water: Henry LC: 1.44 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.474 hours Half-Life from Model Lake : 137.1 hours (5.713 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.54 percent Total biodegradation: 0.42 percent Total sludge adsorption: 73.33 percent Total to Air: 23.78 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.158 9.77 1000 Water 2.07 900 1000 Soil 27.5 1.8e+003 1000 Sediment 70.3 8.1e+003 0 Persistence Time: 2.91e+003 hr
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