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: 7023-61-2
SMILES : c12c(N=Nc3cc(CL)c(C)cc3S(=O)(=O)O[Ca]5)c(O)c(C(=O)O5)cc1cccc2
CHEM : 2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo
]-3-hydroxy-, calcium salt (1:1)
MOL FOR: C18 H11 CL1 N2 O6 S1 Ca1
MOL WT : 458.89
------------------------------ 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) = 5.38
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 736.58 (Adapted Stein & Brown method)
Melting Pt (deg C): 323.11 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.9E-019 (Modified Grain method)
VP (Pa, 25 deg C) : 3.86E-017 (Modified Grain method)
Subcooled liquid VP: 6.69E-016 mm Hg (25 deg C, Mod-Grain method)
: 8.93E-014 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.003655
log Kow used: 5.38 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00708 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Phenols
Salicylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : Incomplete
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: 4.791E-017 atm-m3/mole (4.854E-012 Pa-m3/mole)
VP: 2.9E-019 mm Hg (source: MPBPVP)
WS: 0.00365 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2753
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.6597 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.9387 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5295
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5252
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): 8.92E-014 Pa (6.69E-016 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.36E+007
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.1736 E-12 cm3/molecule-sec
Half-Life = 0.957 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.487 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)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.362E+004 L/kg (MCI method)
Log Koc: 4.134 (MCI method)
Koc : 2.698E+004 L/kg (Kow method)
Log Koc: 4.431 (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 = 1.000 (BCF = 10 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7992 days (HL = 0.1588 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.814 (BCF = 65.2)
Log BAF Arnot-Gobas method (upper trophic) = 1.814 (BAF = 65.23)
log Kow used: 5.38 (estimated)
Volatilization from Water:
Henry LC: 4.79E-017 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 2.618E+013 hours (1.091E+012 days)
Half-Life from Model Lake : 2.856E+014 hours (1.19E+013 days)
Removal In Wastewater Treatment:
Total removal: 86.57 percent
Total biodegradation: 0.74 percent
Total sludge adsorption: 85.83 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 0.0577 23 1000
Water 4.28 4.32e+003 1000
Soil 88.9 8.64e+003 1000
Sediment 6.79 3.89e+004 0
Persistence Time: 6.82e+003 hr