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Hexylcyclohexane
CCCCCCC1CCCCC1
InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3
QHWAQXOSHHKCFK-UHFFFAOYSA-N
CSID:19109, http://www.chemspider.com/Chemical-Structure.19109.html (accessed 08:43, Nov 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) = 6.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 214.37 (Adapted Stein & Brown method) Melting Pt (deg C): -14.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.162 (Mean VP of Antoine & Grain methods) MP (exp database): -43 deg C BP (exp database): 224 deg C VP (exp database): 1.14E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1242 log Kow used: 6.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.060955 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.40E+000 atm-m3/mole Group Method: 1.86E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.889E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.05 (KowWin est) Log Kaw used: 1.758 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.292 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7758 Biowin2 (Non-Linear Model) : 0.9214 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1255 (weeks ) Biowin4 (Primary Survey Model) : 3.8740 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5699 Biowin6 (MITI Non-Linear Model): 0.7081 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0081 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.1959 BioHC Half-Life (days) : 15.7018 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 15.2 Pa (0.114 mm Hg) Log Koa (Koawin est ): 4.292 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.97E-007 Octanol/air (Koa) model: 4.81E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.13E-006 Mackay model : 1.58E-005 Octanol/air (Koa) model: 3.85E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.6436 E-12 cm3/molecule-sec Half-Life = 0.606 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.275 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.15E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5992 Log Koc: 3.778 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 = 3.957 (BCF = 9068) log Kow used: 6.05 (estimated) Volatilization from Water: Henry LC: 1.4 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.324 hours Half-Life from Model Lake : 123.2 hours (5.135 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.67 percent Total biodegradation: 0.20 percent Total sludge adsorption: 60.00 percent Total to Air: 39.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.29 14.5 1000 Water 7.61 360 1000 Soil 31.8 720 1000 Sediment 59.3 3.24e+003 0 Persistence Time: 709 hr
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