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CAS Num: 000557-04-0


CHEM : Octadecanoic acid, magnesium salt

MOL FOR: C36 H70 O4 Mg1

MOL WT : 591.26

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 14.34

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

Boiling Pt (deg C): 661.06 (Adapted Stein & Brown method)

Melting Pt (deg C): 287.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.52E-015 (Modified Grain method)

VP (Pa, 25 deg C) : 8.69E-013 (Modified Grain method)

MP (exp database): 250 deg C

Subcooled liquid VP: 1.82E-012 mm Hg (25 deg C, Mod-Grain method)

: 2.43E-010 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1.045e-010

log Kow used: 14.34 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.9126e-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 : Incomplete

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 4.854E-005 atm-m3/mole (4.918E+000 Pa-m3/mole)

VP: 6.52E-015 mm Hg (source: MPBPVP)

WS: 1.05E-010 mg/L (source: WSKOWWIN)

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

Can Not Estimate (can not calculate HenryLC)

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6829

Biowin2 (Non-Linear Model) : 0.1545

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4892 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5328 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5353

Biowin6 (MITI Non-Linear Model): 0.3185

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8732

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): 2.43E-010 Pa (1.82E-012 mm Hg)

Log Koa (): not available

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

Mackay model : 1.24E+004

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: not available

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 42.9098 E-12 cm3/molecule-sec

Half-Life = 0.249 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.991 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

not available (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8.35E+007 L/kg (MCI method)

Log Koc: 7.922 (MCI method)

Koc : 2.503E+008 L/kg (Kow method)

Log Koc: 8.398 (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 v3.00):

Log BCF from regression-based method = 0.528 (BCF = 3.377 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.6858 days (HL = 485.1 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8951)

Log BAF Arnot-Gobas method (upper trophic) = 0.985 (BAF = 9.651)

log Kow used: 14.34 (estimated)

Volatilization from Water:

Henry LC: 4.85E-005 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 31.81 hours (1.325 days)

Half-Life from Model Lake : 550.9 hours (22.95 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 0.177 5.98 1000

Water 15.9 900 1000

Soil 83.9 1.8e+003 1000

Sediment 0.00724 8.1e+003 0

Persistence Time: 1.21e+003 hr

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