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CAS Number: 68476-03-9


CHEM : Fatty acids, montan-wax

MOL FOR: C25 H50 O2

MOL WT : 382.68

------------------------------ 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) = 11.38

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

Boiling Pt (deg C): 463.27 (Adapted Stein & Brown method)

Melting Pt (deg C): 177.26 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.02E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 8.03E-007 (Modified Grain method)

Subcooled liquid VP: 2.3E-007 mm Hg (25 deg C, Mod-Grain method)

: 3.06E-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): 1.852e-006

log Kow used: 11.38 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.1884e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 3.70E-004 atm-m3/mole (3.75E+001 Pa-m3/mole)

Group Method: 8.29E-004 atm-m3/mole (8.40E+001 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: 1.637E-003 atm-m3/mole (1.658E+002 Pa-m3/mole)

VP: 6.02E-009 mm Hg (source: MPBPVP)

WS: 1.85E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 11.38 (KowWin est)

Log Kaw used: -1.820 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.200

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7465

Biowin2 (Non-Linear Model) : 0.5154

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0165 (weeks )

Biowin4 (Primary Survey Model) : 3.9503 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8918

Biowin6 (MITI Non-Linear Model): 0.9249

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.2233

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): 3.07E-005 Pa (2.3E-007 mm Hg)

Log Koa (Koawin est ): 13.200

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

Mackay model : 0.0978

Octanol/air (Koa) model: 3.89

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.779

Mackay model : 0.887

Octanol/air (Koa) model: 0.997

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 32.3717 E-12 cm3/molecule-sec

Half-Life = 0.330 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.965 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.833 (Junge-Pankow, Mackay avg)

0.997 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7.809E+005 L/kg (MCI method)

Log Koc: 5.893 (MCI method)

Koc : 2.821E+006 L/kg (Kow method)

Log Koc: 6.450 (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) = 2.1957 days (HL = 156.9 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.265 (BCF = 1.841)

Log BAF Arnot-Gobas method (upper trophic) = 3.452 (BAF = 2834)

log Kow used: 11.38 (estimated)

Volatilization from Water:

Henry LC: 0.000829 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.378 hours

Half-Life from Model Lake : 200.9 hours (8.37 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 0.517 7.93 1000

Water 22 360 1000

Soil 77.4 720 1000

Sediment 0.0423 3.24e+003 0

Persistence Time: 529 hr

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