1,1-Dimethylcyclohexane
CC1(CCCCC1)C
InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3
QEGNUYASOUJEHD-UHFFFAOYSA-N
CSID:11062, http://www.chemspider.com/Chemical-Structure.11062.html (accessed 11:17, Apr 18, 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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 117.95 (Adapted Stein & Brown method) Melting Pt (deg C): -53.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 19.1 (Mean VP of Antoine & Grain methods) MP (exp database): -33.3 deg C BP (exp database): 119.6 deg C VP (exp database): 2.27E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 10.87 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.393 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.50E-001 atm-m3/mole Group Method: 4.66E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.595E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: 1.265 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.785 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5102 Biowin2 (Non-Linear Model) : 0.4236 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7391 (weeks-months) Biowin4 (Primary Survey Model) : 3.5324 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5454 Biowin6 (MITI Non-Linear Model): 0.7123 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2574 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4144 BioHC Half-Life (days) : 25.9633 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.03E+003 Pa (22.7 mm Hg) Log Koa (Koawin est ): 2.785 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.91E-010 Octanol/air (Koa) model: 1.5E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.58E-008 Mackay model : 7.93E-008 Octanol/air (Koa) model: 1.2E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.3998 E-12 cm3/molecule-sec Half-Life = 1.445 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.345 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.75E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 393.3 Log Koc: 2.595 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 = 2.416 (BCF = 260.6) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 0.45 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.082 hours Half-Life from Model Lake : 100.6 hours (4.193 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.51 percent Total biodegradation: 0.07 percent Total sludge adsorption: 18.67 percent Total to Air: 80.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 19.3 34.7 1000 Water 52.9 900 1000 Soil 13.8 1.8e+003 1000 Sediment 14 8.1e+003 0 Persistence Time: 147 hr
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