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CAS Number: 68476-04-0


CHEM : Fatty acids, montan-wax, ethoxylated

MOL FOR: C35 H70 O7

MOL WT : 602.94

------------------------------ 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) = 9.60

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

Boiling Pt (deg C): 626.32 (Adapted Stein & Brown method)

Melting Pt (deg C): 271.60 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.18E-017 (Modified Grain method)

VP (Pa, 25 deg C) : 5.57E-015 (Modified Grain method)

Subcooled liquid VP: 2.16E-014 mm Hg (25 deg C, Mod-Grain method)

: 2.88E-012 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.169e-006

log Kow used: 9.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.828e-005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 3.36E-013 atm-m3/mole (3.40E-008 Pa-m3/mole)

Group Method: 1.07E-016 atm-m3/mole (1.08E-011 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: 1.046E-011 atm-m3/mole (1.060E-006 Pa-m3/mole)

VP: 4.18E-017 mm Hg (source: MPBPVP)

WS: 3.17E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.60 (KowWin est)

Log Kaw used: -10.862 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 20.462

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.4876

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4306 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5664 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0603

Biowin6 (MITI Non-Linear Model): 0.9116

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5721

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 2.88E-012 Pa (2.16E-014 mm Hg)

Log Koa (Koawin est ): 20.462

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

Mackay model : 1.04E+006

Octanol/air (Koa) model: 7.11E+007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 93.4077 E-12 cm3/molecule-sec

Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.374 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.217E+005 L/kg (MCI method)

Log Koc: 5.346 (MCI method)

Koc : 2.487E+005 L/kg (Kow method)

Log Koc: 5.396 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.204E-002 L/mol-sec

Kb Half-Life at pH 8: 129.295 days

Kb Half-Life at pH 7: 3.540 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.255 (BCF = 179.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0752 days (HL = 1.189 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.173 (BCF = 1.489)

Log BAF Arnot-Gobas method (upper trophic) = 0.514 (BAF = 3.264)

log Kow used: 9.60 (estimated)

Volatilization from Water:

Henry LC: 1.07E-016 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.344E+013 hours (5.598E+011 days)

Half-Life from Model Lake : 1.466E+014 hours (6.107E+012 days)

Removal In Wastewater Treatment:

Total removal: 94.03 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 0.0379 2.75 1000

Water 13.1 900 1000

Soil 85.9 1.8e+003 1000

Sediment 0.868 8.1e+003 0

Persistence Time: 1.51e+003 hr

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