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CAS Num: 004086-70-8
SMILES : CCCCCCCCCCCCCC(=O)O[Mg]OC(=O)CCCCCCCCCCCCC
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