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CAS Number: 26140-60-3
SMILES : c1ccc(cc1)c2ccc(cc2)c3ccccc3
CHEM : Terphenyl
MOL FOR: C18 H14
MOL WT : 230.31
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 5.52
Log Kow (Exper. database match) = 6.03
Exper. Ref: SANGSTER (1993)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
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)
VP (Pa, 25 deg C) : 4.56E-005 (Modified Grain method)
MP (exp database): 210.1 deg C
BP (exp database): 376 deg C
VP (exp database): 1.00E-07 mm Hg (1.33E-005 Pa) at 25 deg C
Subcooled liquid VP: 6.77E-006 mm Hg (25 deg C, exp database VP )
: 0.000903 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
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
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.18E-005 atm-m3/mole (3.22E+000 Pa-m3/mole)
Group Method: 3.38E-005 atm-m3/mole (3.42E+000 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 4.825E-007 atm-m3/mole (4.889E-002 Pa-m3/mole)
VP: 3.42E-007 mm Hg (source: MPBPVP)
WS: 0.215 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.03 (exp database)
Log Kaw used: -2.886 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.916
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 ): 8.916
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00332
Octanol/air (Koa) model: 0.000202
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.107
Mackay model : 0.21
Octanol/air (Koa) model: 0.0159
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-Pankow, Mackay avg)
0.0159 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.805E+005 L/kg (MCI method)
Log Koc: 5.256 (MCI method)
Koc : 1.71E+005 L/kg (Kow method)
Log Koc: 5.233 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.646 (BCF = 4422 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9653 days (HL = 9.232 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.445 (BCF = 2785)
Log BAF Arnot-Gobas method (upper trophic) = 4.097 (BAF = 1.25e+004)
log Kow used: 6.03 (expkow database)
Volatilization from Water:
Henry LC: 3.38E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 27.84 hours (1.16 days)
Half-Life from Model Lake : 430.9 hours (17.96 days)
Removal In Wastewater Treatment:
Total removal: 92.28 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 91.48 percent
Total to Air: 0.03 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.39 27.9 1000
Water 5.63 900 1000
Soil 48.1 1.8e+003 1000
Sediment 45.8 8.1e+003 0
Persistence Time: 2.13e+003 hr