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CAS Number: 61788-32-7
SMILES : C1(C2CCCCC2)CCCC(C3CCCCC3)C1
CHEM : Terphenyl, hydrogenated
MOL FOR: C18 H32
MOL WT : 248.46
------------------------------ 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) = 8.55
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 321.72 (Adapted Stein & Brown method)
Melting Pt (deg C): 46.57 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000753 (Modified Grain method)
VP (Pa, 25 deg C) : 0.1 (Modified Grain method)
Subcooled liquid VP: 0.00119 mm Hg (25 deg C, Mod-Grain method)
: 0.158 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0003498
log Kow used: 8.55 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0024969 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.49E+000 atm-m3/mole (1.51E+005 Pa-m3/mole)
Group Method: 3.38E-001 atm-m3/mole (3.42E+004 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: 7.037E-001 atm-m3/mole (7.131E+004 Pa-m3/mole)
VP: 0.000753 mm Hg (source: MPBPVP)
WS: 0.00035 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.55 (KowWin est)
Log Kaw used: 1.785 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.765
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6293
Biowin2 (Non-Linear Model) : 0.3730
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6501 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4893 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2989
Biowin6 (MITI Non-Linear Model): 0.1355
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6863
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.8414
BioHC Half-Life (days) : 69.4065
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.159 Pa (0.00119 mm Hg)
Log Koa (Koawin est ): 6.765
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.89E-005
Octanol/air (Koa) model: 1.43E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000682
Mackay model : 0.00151
Octanol/air (Koa) model: 0.000114
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.2230 E-12 cm3/molecule-sec
Half-Life = 0.313 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.750 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0011 (Junge-Pankow, Mackay avg)
0.000114 (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 : 2.631E+007 L/kg (Kow method)
Log Koc: 7.420 (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 = 3.364 (BCF = 2315 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.8515 days (HL = 71.04 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.501 (BCF = 316.9)
Log BAF Arnot-Gobas method (upper trophic) = 5.714 (BAF = 5.171e+005)
log Kow used: 8.55 (estimated)
Volatilization from Water:
Henry LC: 1.49 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.609 hours
Half-Life from Model Lake : 149.7 hours (6.238 days)
Removal In Wastewater Treatment:
Total removal: 94.46 percent
Total biodegradation: 0.74 percent
Total sludge adsorption: 90.84 percent
Total to Air: 2.89 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.31 7.5 1000
Water 37 900 1000
Soil 40.7 1.8e+003 1000
Sediment 21 8.1e+003 0
Persistence Time: 459 hr