1,1':3',1''-Terphenyl
c1ccc(cc1)c2cccc(c2)c3ccccc3
InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H
YJTKZCDBKVTVBY-UHFFFAOYSA-N
CSID:6809, http://www.chemspider.com/Chemical-Structure.6809.html (accessed 04:44, 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) = 5.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 382.97 (Adapted Stein & Brown method) Melting Pt (deg C): 110.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.64E-005 (Modified Grain method) MP (exp database): 87 deg C BP (exp database): 363 deg C VP (exp database): 1.75E-05 mm Hg at 25 deg C Subcooled liquid VP: 7.18E-005 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5844 log Kow used: 5.52 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.51 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.056186 mg/L Wat Sol (Exper. database match) = 1.51 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.18E-005 atm-m3/mole Group Method: 3.38E-005 atm-m3/mole Exper Database: 6.11E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.504E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.52 (KowWin est) Log Kaw used: -3.843 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.363 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8941 Biowin2 (Non-Linear Model) : 0.9657 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7342 (weeks-months) Biowin4 (Primary Survey Model) : 3.5252 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1420 Biowin6 (MITI Non-Linear Model): 0.0801 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0636 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.8257 BioHC Half-Life (days) : 6.6944 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00957 Pa (7.18E-005 mm Hg) Log Koa (Koawin est ): 9.363 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000313 Octanol/air (Koa) model: 0.000566 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0112 Mackay model : 0.0245 Octanol/air (Koa) model: 0.0433 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.6593 E-12 cm3/molecule-sec Half-Life = 0.845 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.139 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0178 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.361E+005 Log Koc: 5.373 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 = 3.551 (BCF = 3558) log Kow used: 5.52 (estimated) Volatilization from Water: Henry LC: 6.11E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 16.09 hours Half-Life from Model Lake : 302.8 hours (12.62 days) Removal In Wastewater Treatment: Total removal: 88.57 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.64 percent Total to Air: 0.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.479 20.3 1000 Water 6.6 900 1000 Soil 49.1 1.8e+003 1000 Sediment 43.8 8.1e+003 0 Persistence Time: 1.77e+003 hr
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