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: 26381-41-9
SMILES : c(c(cc1)N)cc1N=Nc(c(O)cc2)c(cc(c3)N(CL)(C)(C)C)c2c3
CHEM : 2-Naphthalenaminium, 8-[(4-aminophenyl)azo]-7-hydroxy-N,N,N-trimethyl
-, chloride
MOL FOR: C19 H21 CL1 N4 O1
MOL WT : 356.86
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 0.88
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 660.85 (Adapted Stein & Brown method)
Melting Pt (deg C): 287.73 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.29E-016 (Modified Grain method)
VP (Pa, 25 deg C) : 1.72E-014 (Modified Grain method)
Subcooled liquid VP: 1.06E-013 mm Hg (25 deg C, Mod-Grain method)
: 1.41E-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): 1398
log Kow used: 0.88 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.0469 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Anilines (Aromatic Amines)
Hydrazines
Phenols
Phenol Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.03E-023 atm-m3/mole (1.04E-018 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: 4.333E-020 atm-m3/mole (4.390E-015 Pa-m3/mole)
VP: 1.29E-016 mm Hg (source: MPBPVP)
WS: 1.4E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.88 (KowWin est)
Log Kaw used: -21.376 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 22.256
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2179
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0316 (months )
Biowin4 (Primary Survey Model) : 3.2114 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.4229
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8963
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): 1.41E-011 Pa (1.06E-013 mm Hg)
Log Koa (Koawin est ): 22.256
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.12E+005
Octanol/air (Koa) model: 4.43E+009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 50.3076 E-12 cm3/molecule-sec
Half-Life = 0.213 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.551 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.526E+004 L/kg (MCI method)
Log Koc: 4.742 (MCI method)
Koc : 83.71 L/kg (Kow method)
Log Koc: 1.923 (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) = -0.9616 days (HL = 0.1093 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.189 (BCF = 1.547)
Log BAF Arnot-Gobas method (upper trophic) = 0.189 (BAF = 1.547)
log Kow used: 0.88 (estimated)
Volatilization from Water:
Henry LC: 1.03E-023 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.074E+020 hours (4.474E+018 days)
Half-Life from Model Lake : 1.171E+021 hours (4.881E+019 days)
Removal In Wastewater Treatment:
Total removal: 1.88 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.78 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 6.73e-010 5.1 1000
Water 5.62 1.44e+003 1000
Soil 71.6 2.88e+003 1000
Sediment 22.8 1.3e+004 0
Persistence Time: 3.67e+003 hr