Hexylcyclopentane
CCCCCCC1CCCC1
InChI=1S/C11H22/c1-2-3-4-5-8-11-9-6-7-10-11/h11H,2-10H2,1H3
LKHGKBBAJAFMSQ-UHFFFAOYSA-N
CSID:121891, http://www.chemspider.com/Chemical-Structure.121891.html (accessed 21:31, Apr 16, 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) = 5.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 192.81 (Adapted Stein & Brown method) Melting Pt (deg C): -24.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.449 (Mean VP of Antoine & Grain methods) MP (exp database): -73 deg C BP (exp database): 203 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.3783 log Kow used: 5.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11969 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.05E+000 atm-m3/mole Group Method: 1.31E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.410E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.56 (KowWin est) Log Kaw used: 1.633 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.927 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7825 Biowin2 (Non-Linear Model) : 0.9347 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1565 (weeks ) Biowin4 (Primary Survey Model) : 3.8942 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5919 Biowin6 (MITI Non-Linear Model): 0.7417 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1281 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.1072 BioHC Half-Life (days) : 12.7991 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 55.1 Pa (0.413 mm Hg) Log Koa (Koawin est ): 3.927 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.45E-008 Octanol/air (Koa) model: 2.07E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.97E-006 Mackay model : 4.36E-006 Octanol/air (Koa) model: 1.66E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.8962 E-12 cm3/molecule-sec Half-Life = 0.829 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.953 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.16E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3249 Log Koc: 3.512 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 = 3.579 (BCF = 3796) log Kow used: 5.56 (estimated) Volatilization from Water: Henry LC: 1.05 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.268 hours Half-Life from Model Lake : 118 hours (4.916 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.77 percent Total biodegradation: 0.18 percent Total sludge adsorption: 56.68 percent Total to Air: 42.92 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.28 19.9 1000 Water 13.4 360 1000 Soil 35.8 720 1000 Sediment 47.5 3.24e+003 0 Persistence Time: 432 hr
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