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CAS Number: 14167-59-0



MOL FOR: C34 H70

MOL WT : 478.94

------------------------------ 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) = 17.04

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 496.87 (Adapted Stein & Brown method)

Melting Pt (deg C): 188.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.76E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 1.03E-005 (Modified Grain method)

MP (exp database): 72.6 deg C

BP (exp database): 483 deg C

Subcooled liquid VP: 2.19E-007 mm Hg (25 deg C, Mod-Grain method)

: 2.91E-005 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 7.97e-013

log Kow used: 17.04 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.7894e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 4.76E+003 atm-m3/mole (4.83E+008 Pa-m3/mole)

Group Method: 2.68E+004 atm-m3/mole (2.72E+009 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: 6.136E+004 atm-m3/mole (6.217E+009 Pa-m3/mole)

VP: 7.76E-008 mm Hg (source: MPBPVP)

WS: 7.97E-013 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 17.04 (KowWin est)

Log Kaw used: 5.289 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.751

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7364

Biowin2 (Non-Linear Model) : 0.4738

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7375 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6949 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8694

Biowin6 (MITI Non-Linear Model): 0.9229

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8732

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.5985

BioHC Half-Life (days) : 396.7734

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 2.92E-005 Pa (2.19E-007 mm Hg)

Log Koa (Koawin est ): 11.751

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.103

Octanol/air (Koa) model: 0.138

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.788

Mackay model : 0.892

Octanol/air (Koa) model: 0.917

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 45.0236 E-12 cm3/molecule-sec

Half-Life = 0.238 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.851 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.84 (Junge-Pankow, Mackay avg)

0.917 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.613E+009 L/kg (MCI method)

Log Koc: 9.417 (MCI method)

Koc : 6.146E+014 L/kg (Kow method)

Log Koc: 14.789 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 3.8040 days (HL = 6367 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.032 (BAF = 0.9295)

log Kow used: 17.04 (estimated)

Volatilization from Water:

Henry LC: 4.76E+003 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.233 hours

Half-Life from Model Lake : 207.9 hours (8.661 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.505 5.7 1000

Water 26.9 900 1000

Soil 72.5 1.8e+003 1000

Sediment 0.000767 8.1e+003 0

Persistence Time: 704 hr

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