1,1'-Bi(cyclohexyl)
C1CCC(CC1)C2CCCCC2
InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
WVIIMZNLDWSIRH-UHFFFAOYSA-N
CSID:6827, http://www.chemspider.com/Chemical-Structure.6827.html (accessed 20:05, Apr 19, 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) = 5.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 222.84 (Adapted Stein & Brown method) Melting Pt (deg C): -8.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0809 (Mean VP of Antoine & Grain methods) MP (exp database): 4 deg C BP (exp database): 238 deg C VP (exp database): 1.08E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.183 log Kow used: 5.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.40128 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.16E-001 atm-m3/mole Group Method: 2.56E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.674E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.86 (KowWin est) Log Kaw used: 1.401 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.459 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) : 0.4395 Biowin6 (MITI Non-Linear Model): 0.4578 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2851 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4319 BioHC Half-Life (days) : 27.0327 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 14.4 Pa (0.108 mm Hg) Log Koa (Koawin est ): 4.459 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.08E-007 Octanol/air (Koa) model: 7.06E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.52E-006 Mackay model : 1.67E-005 Octanol/air (Koa) model: 5.65E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.3506 E-12 cm3/molecule-sec Half-Life = 0.501 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.012 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.21E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6250 Log Koc: 3.796 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 = 3.814 (BCF = 6522) log Kow used: 5.86 (estimated) Volatilization from Water: Henry LC: 0.616 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: 99.46 percent Total biodegradation: 0.21 percent Total sludge adsorption: 59.96 percent Total to Air: 39.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.18 12 1000 Water 8.6 360 1000 Soil 39.2 720 1000 Sediment 51 3.24e+003 0 Persistence Time: 646 hr
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