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: 547-58-0
SMILES : CN(C)c2ccc(N=Nc1ccc(cc1)S(O([Na]))(=O)=O)cc2
CHEM : Benzenesulfonic acid, 4-[[4-(dimethylamino)phenyl]azo]-, sodium salt
MOL FOR: C14 H14 N3 O3 S1 Na1
MOL WT : 327.34
------------------------------ 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) = -0.66
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 670.02 (Adapted Stein & Brown method)
Melting Pt (deg C): 292.02 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.13E-015 (Modified Grain method)
VP (Pa, 25 deg C) : 1.51E-013 (Modified Grain method)
Subcooled liquid VP: 1.05E-012 mm Hg (25 deg C, Mod-Grain method)
: 1.41E-010 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.139e+004
log Kow used: -0.66 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 200 mg/L (25 deg C)
Exper. Ref: DEHN,WM (1917)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.6902 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 : 1.10E-013 atm-m3/mole (1.11E-008 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: 4.273E-020 atm-m3/mole (4.330E-015 Pa-m3/mole)
VP: 1.13E-015 mm Hg (source: MPBPVP)
WS: 1.14E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.66 (KowWin est)
Log Kaw used: -11.347 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.687
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0687
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1114 (months )
Biowin4 (Primary Survey Model) : 3.0880 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.2383
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.5382
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): 1.4E-010 Pa (1.05E-012 mm Hg)
Log Koa (Koawin est ): 10.687
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.14E+004
Octanol/air (Koa) model: 0.0119
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.489
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 149.2496 E-12 cm3/molecule-sec
Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.860 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.489 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 139.3 L/kg (MCI method)
Log Koc: 2.144 (MCI method)
Koc : 8.431 L/kg (Kow method)
Log Koc: 0.926 (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) = -0.9650 days (HL = 0.1084 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.309 (BCF = 2.038)
Log BAF Arnot-Gobas method (upper trophic) = 0.309 (BAF = 2.038)
log Kow used: 1.13 (estimated)
Volatilization from Water:
Henry LC: 1.1E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.63E+009 hours (4.012E+008 days)
Half-Life from Model Lake : 1.051E+011 hours (4.377E+009 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 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 0.0504 1.72 1000
Water 19.4 1.44e+003 1000
Soil 80.4 2.88e+003 1000
Sediment 0.176 1.3e+004 0
Persistence Time: 1.45e+003 hr