Try beta.chemspider
4,4'-Dicyclohexylbiphenyl
c1cc(ccc1c2ccc(cc2)C3CCCCC3)C4CCCCC4
InChI=1S/C24H30/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h11-20H,1-10H2
OLUVNSGCKHZQJQ-UHFFFAOYSA-N
CSID:252609, http://www.chemspider.com/Chemical-Structure.252609.html (accessed 03:21, May 6, 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) = 9.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 434.30 (Adapted Stein & Brown method) Melting Pt (deg C): 159.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.98E-008 (Modified Grain method) Subcooled liquid VP: 1.2E-006 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9.134e-005 log Kow used: 9.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00034691 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.67E-003 atm-m3/mole Group Method: 2.34E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.285E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.39 (KowWin est) Log Kaw used: -1.166 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.556 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7053 Biowin2 (Non-Linear Model) : 0.4110 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3456 (weeks-months) Biowin4 (Primary Survey Model) : 3.2511 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0081 Biowin6 (MITI Non-Linear Model): 0.0564 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2902 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 3.5053 BioHC Half-Life (days) : 3201.3105 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00016 Pa (1.2E-006 mm Hg) Log Koa (Koawin est ): 10.556 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0187 Octanol/air (Koa) model: 0.00883 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.404 Mackay model : 0.6 Octanol/air (Koa) model: 0.414 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.1530 E-12 cm3/molecule-sec Half-Life = 0.380 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.559 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.502 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.918E+006 Log Koc: 6.950 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 = 1.535 (BCF = 34.25) log Kow used: 9.39 (estimated) Volatilization from Water: Henry LC: 0.000234 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.287 hours Half-Life from Model Lake : 218.2 hours (9.093 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.103 9.12 1000 Water 1.85 900 1000 Soil 30 1.8e+003 1000 Sediment 68 8.1e+003 0 Persistence Time: 3.24e+003 hr
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