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: 131-08-8
SMILES : c12C(=O)c3cc(S(=O)(=O)O([Na]))ccc3C(=O)c1cccc2
CHEM : 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt
MOL FOR: C14 H7 O5 S1 Na1
MOL WT : 310.26
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = -1.60
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 698.46 (Adapted Stein & Brown method)
Melting Pt (deg C): 305.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.56E-016 (Modified Grain method)
VP (Pa, 25 deg C) : 2.09E-014 (Modified Grain method)
MP (exp database): 300 deg C
Subcooled liquid VP: 1.84E-013 mm Hg (25 deg C, Mod-Grain method)
: 2.45E-011 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.932e+004
log Kow used: -1.60 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.24087 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.49E-015 atm-m3/mole (1.51E-010 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: 3.296E-021 atm-m3/mole (3.340E-016 Pa-m3/mole)
VP: 1.56E-016 mm Hg (source: MPBPVP)
WS: 1.93E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -1.60 (KowWin est)
Log Kaw used: -13.215 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.615
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4002
Biowin2 (Non-Linear Model) : 0.0466
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6594 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4090 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1696
Biowin6 (MITI Non-Linear Model): 0.0685
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.9925
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): 2.45E-011 Pa (1.84E-013 mm Hg)
Log Koa (Koawin est ): 11.615
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.22E+005
Octanol/air (Koa) model: 0.101
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.89
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.9094 E-12 cm3/molecule-sec
Half-Life = 11.762 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.89 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 17.31 L/kg (MCI method)
Log Koc: 1.238 (MCI method)
Koc : 2.7 L/kg (Kow method)
Log Koc: 0.431 (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) = -1.8455 days (HL = 0.01427 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.021 (BCF = 0.9522)
Log BAF Arnot-Gobas method (upper trophic) = -0.021 (BAF = 0.9522)
log Kow used: 0.19 (estimated)
Volatilization from Water:
Henry LC: 1.49E-015 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.921E+011 hours (2.884E+010 days)
Half-Life from Model Lake : 7.551E+012 hours (3.146E+011 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 0.131 282 1000
Water 30.6 900 1000
Soil 69.1 1.8e+003 1000
Sediment 0.0837 8.1e+003 0
Persistence Time: 1.21e+003 hr