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CAS Number: 69275-04-3



MOL FOR: C28 H56 O2

MOL WT : 424.76

------------------------------ 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) = 12.50

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

Boiling Pt (deg C): 439.43 (Adapted Stein & Brown method)

Melting Pt (deg C): 143.71 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.64E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 7.52E-006 (Modified Grain method)

Subcooled liquid VP: 8.98E-007 mm Hg (25 deg C, Mod-Grain method)

: 0.00012 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.506e-008

log Kow used: 12.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.2476e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 2.09E-001 atm-m3/mole (2.12E+004 Pa-m3/mole)

Group Method: 1.17E+000 atm-m3/mole (1.19E+005 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: 6.995E-001 atm-m3/mole (7.088E+004 Pa-m3/mole)

VP: 5.64E-008 mm Hg (source: MPBPVP)

WS: 4.51E-008 mg/L (source: WSKOWWIN)

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

Log Kow used: 12.50 (KowWin est)

Log Kaw used: 0.932 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.568

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0448

Biowin2 (Non-Linear Model) : 0.9986

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2957 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2711 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7303

Biowin6 (MITI Non-Linear Model): 0.8330

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0495

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 0.00012 Pa (8.98E-007 mm Hg)

Log Koa (Koawin est ): 11.568

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

Mackay model : 0.0251

Octanol/air (Koa) model: 0.0908

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.475

Mackay model : 0.667

Octanol/air (Koa) model: 0.879

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 34.2312 E-12 cm3/molecule-sec

Half-Life = 0.312 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):

0.571 (Junge-Pankow, Mackay avg)

0.879 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9.12E+006 L/kg (MCI method)

Log Koc: 6.960 (MCI method)

Koc : 5.938E+007 L/kg (Kow method)

Log Koc: 7.774 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 8.935E-004 L/mol-sec

Kb Half-Life at pH 8: 24.581 years

Kb Half-Life at pH 7: 245.806 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.427 (BCF = 26.74 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.6643 days (HL = 46.17 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.037 (BCF = 0.919)

Log BAF Arnot-Gobas method (upper trophic) = 1.517 (BAF = 32.91)

log Kow used: 12.50 (estimated)

Volatilization from Water:

Henry LC: 1.17 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.104 hours

Half-Life from Model Lake : 195.8 hours (8.157 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 0.949 7.5 1000

Water 25.8 208 1000

Soil 73.2 416 1000

Sediment 0.0272 1.87e+003 0

Persistence Time: 302 hr

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