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CAS Number: 16980-85-1



MOL FOR: C25 H50

MOL WT : 350.68

------------------------------ 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) = 12.48

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

Boiling Pt (deg C): 391.57 (Adapted Stein & Brown method)

Melting Pt (deg C): 105.78 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000667 (Modified Grain method)

Subcooled liquid VP: 3.09E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00412 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.899e-008

log Kow used: 12.48 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.5068e-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 : 7.81E+001 atm-m3/mole (7.91E+006 Pa-m3/mole)

Group Method: 3.79E+002 atm-m3/mole (3.84E+007 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: 5.917E+001 atm-m3/mole (5.996E+006 Pa-m3/mole)

VP: 5E-006 mm Hg (source: MPBPVP)

WS: 3.9E-008 mg/L (source: WSKOWWIN)

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

Log Kow used: 12.48 (KowWin est)

Log Kaw used: 3.504 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.976

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6890

Biowin2 (Non-Linear Model) : 0.4682

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7226 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6109 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7750

Biowin6 (MITI Non-Linear Model): 0.8761

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7900

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.8338

BioHC Half-Life (days) : 68.2010

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

Vapor pressure (liquid/subcooled): 0.00412 Pa (3.09E-005 mm Hg)

Log Koa (Koawin est ): 8.976

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

Mackay model : 0.000728

Octanol/air (Koa) model: 0.000232

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0256

Mackay model : 0.055

Octanol/air (Koa) model: 0.0182

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 57.0259 E-12 cm3/molecule-sec

Half-Life = 0.188 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.251 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.0403 (Junge-Pankow, Mackay avg)

0.0182 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.179E+007 L/kg (MCI method)

Log Koc: 7.071 (MCI method)

Koc : 6.776E+010 L/kg (Kow method)

Log Koc: 10.831 (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 = 1.438 (BCF = 27.39 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.5080 days (HL = 322.1 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.006 (BCF = 1.013)

Log BAF Arnot-Gobas method (upper trophic) = 2.668 (BAF = 465.2)

log Kow used: 12.48 (estimated)

Volatilization from Water:

Henry LC: 78.1 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.911 hours

Half-Life from Model Lake : 177.9 hours (7.411 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.24 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.721 3.76 1000

Water 45.4 900 1000

Soil 53.7 1.8e+003 1000

Sediment 0.212 8.1e+003 0

Persistence Time: 415 hr

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