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CAS Number: 15306-27-1



MOL FOR: C27 H54

MOL WT : 378.73

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 13.46

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

Boiling Pt (deg C): 414.78 (Adapted Stein & Brown method)

Melting Pt (deg C): 123.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.3E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000124 (Modified Grain method)

Subcooled liquid VP: 8.95E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.00119 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.813e-009

log Kow used: 13.46 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.7873e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.38E+002 atm-m3/mole (1.39E+007 Pa-m3/mole)

Group Method: 7.56E+002 atm-m3/mole (7.66E+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: 1.215E+002 atm-m3/mole (1.232E+007 Pa-m3/mole)

VP: 9.3E-007 mm Hg (source: MPBPVP)

WS: 3.81E-009 mg/L (source: WSKOWWIN)

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

Log Kow used: 13.46 (KowWin est)

Log Kaw used: 3.751 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.709

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6757

Biowin2 (Non-Linear Model) : 0.3715

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6606 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5704 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7904

Biowin6 (MITI Non-Linear Model): 0.8813

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8420

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.9666

BioHC Half-Life (days) : 92.5961

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

Vapor pressure (liquid/subcooled): 0.00119 Pa (8.95E-006 mm Hg)

Log Koa (Koawin est ): 9.709

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

Mackay model : 0.00251

Octanol/air (Koa) model: 0.00126

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0832

Mackay model : 0.167

Octanol/air (Koa) model: 0.0913

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 59.8520 E-12 cm3/molecule-sec

Half-Life = 0.179 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.144 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):

0.125 (Junge-Pankow, Mackay avg)

0.0913 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.914E+007 L/kg (MCI method)

Log Koc: 7.593 (MCI method)

Koc : 4.803E+011 L/kg (Kow method)

Log Koc: 11.682 (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 = 0.956 (BCF = 9.043 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.7863 days (HL = 611.3 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.041 (BCF = 0.9102)

Log BAF Arnot-Gobas method (upper trophic) = 1.881 (BAF = 76.04)

log Kow used: 13.46 (estimated)

Volatilization from Water:

Henry LC: 138 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.986 hours

Half-Life from Model Lake : 184.8 hours (7.702 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 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 0.491 3.61 1000

Water 35.1 900 1000

Soil 64.3 1.8e+003 1000

Sediment 0.0569 8.1e+003 0

Persistence Time: 537 hr

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