Try beta.chemspider
3,3',4,4'-Tetramethylbiphenyl
Cc1ccc(cc1C)c2ccc(c(c2)C)C
InChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
YXBIAYXZUDJVEB-UHFFFAOYSA-N
CSID:19779, http://www.chemspider.com/Chemical-Structure.19779.html (accessed 07:28, Apr 25, 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) = 5.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 330.43 (Adapted Stein & Brown method) Melting Pt (deg C): 89.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.13E-005 (Modified Grain method) Subcooled liquid VP: 0.000382 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): 0.3234 log Kow used: 5.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.10767 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.14E-004 atm-m3/mole Group Method: 5.60E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.813E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.95 (KowWin est) Log Kaw used: -1.600 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.550 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8661 Biowin2 (Non-Linear Model) : 0.9114 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4350 (weeks-months) Biowin4 (Primary Survey Model) : 3.2702 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3016 Biowin6 (MITI Non-Linear Model): 0.1685 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2236 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4711 BioHC Half-Life (days) : 29.5854 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0509 Pa (0.000382 mm Hg) Log Koa (Koawin est ): 7.550 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.89E-005 Octanol/air (Koa) model: 8.71E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00212 Mackay model : 0.00469 Octanol/air (Koa) model: 0.000696 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.2245 E-12 cm3/molecule-sec Half-Life = 0.481 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.775 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00341 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.482E+004 Log Koc: 4.651 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 = 3.879 (BCF = 7561) log Kow used: 5.95 (estimated) Volatilization from Water: Henry LC: 0.00056 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.996 hours Half-Life from Model Lake : 154.3 hours (6.429 days) Removal In Wastewater Treatment: Total removal: 92.03 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.74 percent Total to Air: 0.53 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.296 11.6 1000 Water 3.86 900 1000 Soil 43 1.8e+003 1000 Sediment 52.8 8.1e+003 0 Persistence Time: 2.01e+003 hr
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