Try beta.chemspider
1,1':4',1''-Terphenyl
c1ccc(cc1)c2ccc(cc2)c3ccccc3
InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
XJKSTNDFUHDPQJ-UHFFFAOYSA-N
CSID:6848, http://www.chemspider.com/Chemical-Structure.6848.html (accessed 00:37, May 10, 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 Log Kow (Exper. database match) = 6.03 Exper. Ref: Sangster (1993) 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): 3.42E-007 (Modified Grain method) MP (exp database): 210.1 deg C BP (exp database): 376 deg C VP (exp database): 1.00E-07 mm Hg at 25 deg C Subcooled liquid VP: 6.77E-006 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): 0.2148 log Kow used: 6.03 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.018 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) = 0.02 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]: 4.825E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.03 (exp database) Log Kaw used: -3.843 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.873 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): 0.000903 Pa (6.77E-006 mm Hg) Log Koa (Koawin est ): 9.873 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00332 Octanol/air (Koa) model: 0.00183 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.107 Mackay model : 0.21 Octanol/air (Koa) model: 0.128 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.1946 E-12 cm3/molecule-sec Half-Life = 1.163 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.959 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.159 (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 = 3.943 (BCF = 8772) log Kow used: 6.03 (expkow database) 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: 92.29 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.46 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.326 27.9 1000 Water 3.65 900 1000 Soil 40.1 1.8e+003 1000 Sediment 55.9 8.1e+003 0 Persistence Time: 2.55e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight