Try beta.chemspider
2',5'-Dimethyl-1,1':4',1''-terphenyl
Cc1cc(c(cc1c2ccccc2)C)c3ccccc3
InChI=1S/C20H18/c1-15-13-20(18-11-7-4-8-12-18)16(2)14-19(15)17-9-5-3-6-10-17/h3-14H,1-2H3
TUSIRMATSRRTEJ-UHFFFAOYSA-N
CSID:539614, http://www.chemspider.com/Chemical-Structure.539614.html (accessed 05:08, Jun 1, 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) = 6.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 406.17 (Adapted Stein & Brown method) Melting Pt (deg C): 141.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.95E-007 (Modified Grain method) Subcooled liquid VP: 5.88E-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): 0.0476 log Kow used: 6.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0056082 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.87E-005 atm-m3/mole Group Method: 3.88E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.821E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.62 (KowWin est) Log Kaw used: -2.801 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.421 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9901 Biowin2 (Non-Linear Model) : 0.9836 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5225 (weeks-months) Biowin4 (Primary Survey Model) : 3.3477 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1250 Biowin6 (MITI Non-Linear Model): 0.0533 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6163 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.8156 BioHC Half-Life (days) : 6.5399 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000784 Pa (5.88E-006 mm Hg) Log Koa (Koawin est ): 9.421 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00383 Octanol/air (Koa) model: 0.000647 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.121 Mackay model : 0.234 Octanol/air (Koa) model: 0.0492 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.7910 E-12 cm3/molecule-sec Half-Life = 0.723 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.678 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.178 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.454E+005 Log Koc: 5.810 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 = 4.394 (BCF = 2.477e+004) log Kow used: 6.62 (estimated) Volatilization from Water: Henry LC: 3.88E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 25.9 hours (1.079 days) Half-Life from Model Lake : 417.3 hours (17.39 days) Removal In Wastewater Treatment: Total removal: 93.58 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.79 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.211 17.4 1000 Water 2.43 900 1000 Soil 31.5 1.8e+003 1000 Sediment 65.9 8.1e+003 0 Persistence Time: 2.95e+003 hr
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