Try beta.chemspider
3-Hexylcyclohexene
CCCCCCC1CCCC=C1
InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h7,10,12H,2-6,8-9,11H2,1H3
OQKLIIQHYMWPMF-UHFFFAOYSA-N
CSID:123390, http://www.chemspider.com/Chemical-Structure.123390.html (accessed 11:51, Apr 24, 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) = 5.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 216.88 (Adapted Stein & Brown method) Melting Pt (deg C): -13.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.23 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1937 log Kow used: 5.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.22967 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.63E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.598E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.83 (KowWin est) Log Kaw used: 1.171 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.659 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7768 Biowin2 (Non-Linear Model) : 0.9235 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1300 (weeks ) Biowin4 (Primary Survey Model) : 3.8769 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5489 Biowin6 (MITI Non-Linear Model): 0.6291 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1011 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0051 BioHC Half-Life (days) : 10.1189 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 28.5 Pa (0.214 mm Hg) Log Koa (Koawin est ): 4.659 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.05E-007 Octanol/air (Koa) model: 1.12E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.8E-006 Mackay model : 8.41E-006 Octanol/air (Koa) model: 8.96E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 70.2782 E-12 cm3/molecule-sec Half-Life = 0.152 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.826 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 6.1E-006 (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 = 3.792 (BCF = 6194) log Kow used: 5.83 (estimated) Volatilization from Water: Henry LC: 0.363 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.318 hours Half-Life from Model Lake : 122.5 hours (5.105 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.15 percent Total biodegradation: 0.23 percent Total sludge adsorption: 60.93 percent Total to Air: 38.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.107 0.999 1000 Water 8.54 360 1000 Soil 43 720 1000 Sediment 48.3 3.24e+003 0 Persistence Time: 654 hr
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