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: 77061-58-6
SMILES : Cn2c(n(CL)(cc2)C)N=Nc1ccc(cc1)N(C)C
CHEM : 1H-Imidazolium, 2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-, chlor
ide
MOL FOR: C13 H18 CL1 N5
MOL WT : 279.77
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = -1.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 411.76 (Adapted Stein & Brown method)
Melting Pt (deg C): 147.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.47E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 3.3E-005 (Modified Grain method)
Subcooled liquid VP: 4.3E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000573 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 9.791e+004
log Kow used: -1.42 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.41E-014 atm-m3/mole (7.51E-009 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: 9.287E-013 atm-m3/mole (9.410E-008 Pa-m3/mole)
VP: 2.47E-007 mm Hg (source: MPBPVP)
WS: 9.79E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -1.42 (KowWin est)
Log Kaw used: -11.519 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.099
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1673
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0257 (months )
Biowin4 (Primary Survey Model) : 3.1033 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1999
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.1296
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): 0.000573 Pa (4.3E-006 mm Hg)
Log Koa (Koawin est ): 10.099
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00523
Octanol/air (Koa) model: 0.00308
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.159
Mackay model : 0.295
Octanol/air (Koa) model: 0.198
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 173.6224 E-12 cm3/molecule-sec
Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.739 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.227 (Junge-Pankow, Mackay avg)
0.198 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1114 L/kg (MCI method)
Log Koc: 3.047 (MCI method)
Koc : 8.015 L/kg (Kow method)
Log Koc: 0.904 (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) = -1.3244 days (HL = 0.04738 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8956)
Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8956)
log Kow used: -1.42 (estimated)
Volatilization from Water:
Henry LC: 7.41E-014 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.322E+010 hours (5.507E+008 days)
Half-Life from Model Lake : 1.442E+011 hours (6.007E+009 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 4.4e-007 1.48 1000
Water 9.33 1.44e+003 1000
Soil 90 2.88e+003 1000
Sediment 0.68 1.3e+004 0
Persistence Time: 2.82e+003 hr