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CAS Num: 004086-70-8


CHEM : Tetradecanoic acid, magnesium salt

MOL FOR: C28 H54 O4 Mg1

MOL WT : 479.05

------------------------------ 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) = 10.41

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

Boiling Pt (deg C): 568.23 (Adapted Stein & Brown method)

Melting Pt (deg C): 231.87 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.93E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 3.91E-010 (Modified Grain method)

Subcooled liquid VP: 4.94E-010 mm Hg (25 deg C, Mod-Grain method)

: 6.58E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.258e-006

log Kow used: 10.41 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.7905e-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: 1.468E-006 atm-m3/mole (1.488E-001 Pa-m3/mole)

VP: 2.93E-012 mm Hg (source: MPBPVP)

WS: 1.26E-006 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) : 0.7363

Biowin2 (Non-Linear Model) : 0.4734

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7372 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6947 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4738

Biowin6 (MITI Non-Linear Model): 0.2775

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6652

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): 6.59E-008 Pa (4.94E-010 mm Hg)

Log Koa (): not available

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

Mackay model : 45.5

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: not available

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 31.6054 E-12 cm3/molecule-sec

Half-Life = 0.338 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.061 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 : 6.863E+005 L/kg (MCI method)

Log Koc: 5.837 (MCI method)

Koc : 1.677E+006 L/kg (Kow method)

Log Koc: 6.225 (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 = 1.857 (BCF = 71.96 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.5726 days (HL = 37.37 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.551 (BCF = 3.559)

Log BAF Arnot-Gobas method (upper trophic) = 3.418 (BAF = 2615)

log Kow used: 10.41 (estimated)

Volatilization from Water:

Henry LC: 1.47E-006 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 875.1 hours (36.46 days)

Half-Life from Model Lake : 9730 hours (405.4 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 0.212 8.12 1000

Water 15.4 900 1000

Soil 83.9 1.8e+003 1000

Sediment 0.489 8.1e+003 0

Persistence Time: 1.25e+003 hr

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