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 Number: 7486-38-6
SMILES : O([Na])C(=O)CCCCC(=O)O([Na])
CHEM : Hexanedioic acid, disodium salt
MOL FOR: C6 H8 O4 Na2
MOL WT : 190.11
------------------------------ 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) = -5.03
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 449.24 (Adapted Stein & Brown method)
Melting Pt (deg C): 172.97 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.51E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 2.01E-006 (Modified Grain method)
Subcooled liquid VP: 5.13E-007 mm Hg (25 deg C, Mod-Grain method)
: 6.84E-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): 1e+006
log Kow used: -5.03 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 34013 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.61E-012 atm-m3/mole (9.74E-007 Pa-m3/mole)
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: 3.777E-015 atm-m3/mole (3.827E-010 Pa-m3/mole)
VP: 1.51E-008 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -5.03 (KowWin est)
Log Kaw used: -9.406 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.376
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8234
Biowin2 (Non-Linear Model) : 0.9020
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.6054 (days-weeks )
Biowin4 (Primary Survey Model) : 4.4080 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8374
Biowin6 (MITI Non-Linear Model): 0.9084
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.3136
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): 6.84E-005 Pa (5.13E-007 mm Hg)
Log Koa (Koawin est ): 4.376
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0439
Octanol/air (Koa) model: 5.83E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.613
Mackay model : 0.778
Octanol/air (Koa) model: 4.67E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 3.5384 E-12 cm3/molecule-sec
Half-Life = 3.023 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 36.274 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.696 (Junge-Pankow, Mackay avg)
4.67E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 24.34 L/kg (MCI method)
Log Koc: 1.386 (MCI method)
Koc : 0.002363 L/kg (Kow method)
Log Koc: -2.627 (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) = -1.9032 days (HL = 0.0125 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.029 (BCF = 0.9355)
Log BAF Arnot-Gobas method (upper trophic) = -0.029 (BAF = 0.9355)
log Kow used: 0.08 (expkow database)
Volatilization from Water:
Henry LC: 9.61E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.4E+007 hours (3.5E+006 days)
Half-Life from Model Lake : 9.164E+008 hours (3.818E+007 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 0.000927 72.6 1000
Water 24.6 208 1000
Soil 75.4 416 1000
Sediment 0.0644 1.87e+003 0
Persistence Time: 431 hr