Butylcyclohexane
CCCCC1CCCCC1
InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3
GGBJHURWWWLEQH-UHFFFAOYSA-N
CSID:14753, http://www.chemspider.com/Chemical-Structure.14753.html (accessed 01:27, Apr 19, 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) = 5.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 174.06 (Adapted Stein & Brown method) Melting Pt (deg C): -37.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.27 (Mean VP of Antoine & Grain methods) MP (exp database): -74.7 deg C BP (exp database): 180.9 deg C VP (exp database): 1.31E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.143 log Kow used: 5.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.60238 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.92E-001 atm-m3/mole Group Method: 9.30E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.051E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.07 (KowWin est) Log Kaw used: 1.510 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.560 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7892 Biowin2 (Non-Linear Model) : 0.9459 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1875 (weeks ) Biowin4 (Primary Survey Model) : 3.9144 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5546 Biowin6 (MITI Non-Linear Model): 0.6979 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0439 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0631 BioHC Half-Life (days) : 11.5650 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 175 Pa (1.31 mm Hg) Log Koa (Koawin est ): 3.560 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.72E-008 Octanol/air (Koa) model: 8.91E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.2E-007 Mackay model : 1.37E-006 Octanol/air (Koa) model: 7.13E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.8175 E-12 cm3/molecule-sec Half-Life = 0.722 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.662 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.97E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1761 Log Koc: 3.246 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 = 3.201 (BCF = 1589) log Kow used: 5.07 (estimated) Volatilization from Water: Henry LC: 0.792 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.209 hours Half-Life from Model Lake : 112.5 hours (4.688 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.77 percent Total biodegradation: 0.15 percent Total sludge adsorption: 49.66 percent Total to Air: 49.96 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.92 17.3 1000 Water 24.7 360 1000 Soil 36.7 720 1000 Sediment 32.7 3.24e+003 0 Persistence Time: 243 hr
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