Try beta.chemspider
1,1':4',1''-Terphenyl-2-ol
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3O
InChI=1S/C18H14O/c19-18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,19H
NHMAFIMOCYQLOP-UHFFFAOYSA-N
CSID:10717735, http://www.chemspider.com/Chemical-Structure.10717735.html (accessed 22:29, Jun 3, 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) = 5.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 417.81 (Adapted Stein & Brown method) Melting Pt (deg C): 153.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.9E-008 (Modified Grain method) Subcooled liquid VP: 5.92E-007 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): 4.672 log Kow used: 5.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.708 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.31E-009 atm-m3/mole Group Method: 4.15E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.012E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.04 (KowWin est) Log Kaw used: -6.869 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.909 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8742 Biowin2 (Non-Linear Model) : 0.9019 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7332 (weeks-months) Biowin4 (Primary Survey Model) : 3.5370 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1504 Biowin6 (MITI Non-Linear Model): 0.0735 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1056 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.89E-005 Pa (5.92E-007 mm Hg) Log Koa (Koawin est ): 11.909 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.038 Octanol/air (Koa) model: 0.199 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.579 Mackay model : 0.753 Octanol/air (Koa) model: 0.941 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.7562 E-12 cm3/molecule-sec Half-Life = 0.359 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.313 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.666 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.903E+005 Log Koc: 5.591 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 = 3.181 (BCF = 1519) log Kow used: 5.04 (estimated) Volatilization from Water: Henry LC: 4.15E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.214E+005 hours (9226 days) Half-Life from Model Lake : 2.416E+006 hours (1.006E+005 days) Removal In Wastewater Treatment: Total removal: 78.93 percent Total biodegradation: 0.69 percent Total sludge adsorption: 78.25 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 0.0491 8.63 1000 Water 8.6 900 1000 Soil 69.9 1.8e+003 1000 Sediment 21.4 8.1e+003 0 Persistence Time: 2.05e+003 hr
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