- Double-bond stereo
[(1E)-4-Methyl-1-penten-1-yl]cyclohexane
CC(C)C/C=C/C1CCCCC1
InChI=1S/C12H22/c1-11(2)7-6-10-12-8-4-3-5-9-12/h6,10-12H,3-5,7-9H2,1-2H3/b10-6+
UNBJMCWOXONJHM-UXBLZVDNSA-N
CSID:4863501, http://www.chemspider.com/Chemical-Structure.4863501.html (accessed 06:06, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 208.65 (Adapted Stein & Brown method) Melting Pt (deg C): -26.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.342 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.2239 log Kow used: 5.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.99475 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.45E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.343E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.76 (KowWin est) Log Kaw used: 1.421 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.339 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6684 Biowin2 (Non-Linear Model) : 0.6564 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8316 (weeks ) Biowin4 (Primary Survey Model) : 3.6078 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3404 Biowin6 (MITI Non-Linear Model): 0.3107 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1706 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.1112 BioHC Half-Life (days) : 12.9173 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 42.1 Pa (0.316 mm Hg) Log Koa (Koawin est ): 4.339 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.12E-008 Octanol/air (Koa) model: 5.36E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.57E-006 Mackay model : 5.7E-006 Octanol/air (Koa) model: 4.29E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 70.2699 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 77.8699 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.827 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.648 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 4.13E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5022 Log Koc: 3.701 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 = 3.735 (BCF = 5437) log Kow used: 5.76 (estimated) Volatilization from Water: Henry LC: 0.645 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.317 hours Half-Life from Model Lake : 122.5 hours (5.104 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.54 percent Total biodegradation: 0.20 percent Total sludge adsorption: 59.00 percent Total to Air: 40.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.179 1.34 1000 Water 9.8 360 1000 Soil 40.6 720 1000 Sediment 49.4 3.24e+003 0 Persistence Time: 576 hr
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