This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 004696-56-4
SMILES : CCCCCCCCCCCC(=O)O[Ca]OC(=O)CCCCCCCCCCC
CHEM : Dodecanoic acid, calcium salt
MOL FOR: C24 H46 O4 Ca1
MOL WT : 438.71
------------------------------ 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) = 8.44
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 521.81 (Adapted Stein & Brown method)
Melting Pt (deg C): 207.93 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.82E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 1.18E-008 (Modified Grain method)
Subcooled liquid VP: 7.67E-009 mm Hg (25 deg C, Mod-Grain method)
: 1.02E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.0001078
log Kow used: 8.44 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.5705e-005 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: 4.723E-007 atm-m3/mole (4.786E-002 Pa-m3/mole)
VP: 8.82E-011 mm Hg (source: MPBPVP)
WS: 0.000108 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) : 0.7555
Biowin2 (Non-Linear Model) : 0.6145
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8264 (weeks )
Biowin4 (Primary Survey Model) : 3.7529 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3961
Biowin6 (MITI Non-Linear Model): 0.1808
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5613
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): 1.02E-006 Pa (7.67E-009 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.93
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.991
Mackay model : 0.996
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 25.9532 E-12 cm3/molecule-sec
Half-Life = 0.412 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.946 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.993 (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 : 6.222E+004 L/kg (MCI method)
Log Koc: 4.794 (MCI method)
Koc : 1.364E+005 L/kg (Kow method)
Log Koc: 5.135 (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 = 2.820 (BCF = 660.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9755 days (HL = 9.452 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.814 (BCF = 65.13)
Log BAF Arnot-Gobas method (upper trophic) = 3.896 (BAF = 7875)
log Kow used: 8.44 (estimated)
Volatilization from Water:
Henry LC: 4.72E-007 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 2599 hours (108.3 days)
Half-Life from Model Lake : 2.852E+004 hours (1189 days)
Removal In Wastewater Treatment:
Total removal: 94.03 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.25 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 0.538 9.89 1000
Water 20.5 360 1000
Soil 76.4 720 1000
Sediment 2.55 3.24e+003 0
Persistence Time: 564 hr