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Octylcyclohexane
CCCCCCCCC1CCCCC1
InChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3
FBXWCEKQCVOOLT-UHFFFAOYSA-N
CSID:14941, http://www.chemspider.com/Chemical-Structure.14941.html (accessed 08:04, Apr 26, 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) = 7.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 251.05 (Adapted Stein & Brown method) Melting Pt (deg C): 7.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0215 (Mean VP of Antoine & Grain methods) MP (exp database): -20 deg C BP (exp database): 264 deg C VP (exp database): 9.15E-03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.01312 log Kow used: 7.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0059968 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.46E+000 atm-m3/mole Group Method: 3.70E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.234E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.03 (KowWin est) Log Kaw used: 2.002 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.028 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7625 Biowin2 (Non-Linear Model) : 0.8873 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0635 (weeks ) Biowin4 (Primary Survey Model) : 3.8335 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5853 Biowin6 (MITI Non-Linear Model): 0.7182 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0601 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3288 BioHC Half-Life (days) : 21.3183 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.22 Pa (0.00915 mm Hg) Log Koa (Koawin est ): 5.028 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.46E-006 Octanol/air (Koa) model: 2.62E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.88E-005 Mackay model : 0.000197 Octanol/air (Koa) model: 2.09E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.4697 E-12 cm3/molecule-sec Half-Life = 0.523 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.270 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000143 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.038E+004 Log Koc: 4.309 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 = 3.268 (BCF = 1852) log Kow used: 7.03 (estimated) Volatilization from Water: Henry LC: 2.46 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.43 hours Half-Life from Model Lake : 133.1 hours (5.546 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.83 percent Total biodegradation: 0.29 percent Total sludge adsorption: 66.11 percent Total to Air: 32.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.511 12.5 1000 Water 4.22 360 1000 Soil 27.8 720 1000 Sediment 67.4 3.24e+003 0 Persistence Time: 1.13e+003 hr
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