BT

The Good Scents Company Information Listings

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: 1658-56-6

SMILES : c12c(N=Nc3c4ccccc4c(S(=O)(=O)O([Na]))cc3)c(O)ccc1cccc2

CHEM : 1-Naphthalenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monos

odium salt

MOL FOR: C20 H13 N2 O4 S1 Na1

MOL WT : 400.39

------------------------------ 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) = 1.74

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 812.17 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.64E-022 (Modified Grain method)

VP (Pa, 25 deg C) : 1.02E-019 (Modified Grain method)

Subcooled liquid VP: 3.92E-018 mm Hg (25 deg C, Mod-Grain method)

: 5.22E-016 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 10.9

log Kow used: 1.74 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.015022 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Hydrazines

Phenols

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 6.84E-018 atm-m3/mole (6.93E-013 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: 3.693E-023 atm-m3/mole (3.742E-018 Pa-m3/mole)

VP: 7.64E-022 mm Hg (source: MPBPVP)

WS: 10.9 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 1.74 (KowWin est)

Log Kaw used: -15.553 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 17.293

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2176

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2612 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3103 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.2745

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6052

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): 5.23E-016 Pa (3.92E-018 mm Hg)

Log Koa (Koawin est ): 17.293

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 5.74E+009

Octanol/air (Koa) model: 4.82E+004

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 = 18.6004 E-12 cm3/molecule-sec

Half-Life = 0.575 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.900 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 : 4.034E+004 L/kg (MCI method)

Log Koc: 4.606 (MCI method)

Koc : 305.8 L/kg (Kow method)

Log Koc: 2.485 (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) = -0.1230 days (HL = 0.7534 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.223 (BCF = 167)

Log BAF Arnot-Gobas method (upper trophic) = 2.223 (BAF = 167)

log Kow used: 3.52 (estimated)

Volatilization from Water:

Henry LC: 6.84E-018 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.713E+014 hours (7.137E+012 days)

Half-Life from Model Lake : 1.868E+015 hours (7.785E+013 days)

Removal In Wastewater Treatment:

Total removal: 2.07 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.97 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 0.217 13.8 1000

Water 10.2 900 1000

Soil 66.6 1.8e+003 1000

Sediment 23 8.1e+003 0

Persistence Time: 1.69e+003 hr

Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) Disclaimer Privacy Policy