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: 7704-34-9




MOL WT : 34.08

------------------------------ EPI SUMMARY (v4.00) --------------------------

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):

*** WARNING: Inorganic Compound (Outside Estimation Domain)

Log Kow (KOWWIN v1.67 estimate) = 0.23

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

*** WARNING: Inorganic Compound (Outside Estimate Domain) ***

*** WARNING: Estimations NOT VALID ***

Boiling Pt (deg C): 473.12 (Adapted Stein & Brown method)

Melting Pt (deg C): 173.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.81E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 5.08E-007 (Modified Grain method)

Subcooled liquid VP: 1.3E-007 mm Hg (25 deg C, Mod-Grain method)

: 1.74E-005 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

*** WARNING: Inorganic Compound (Outside Estimation Domain)**

Water Solubility at 25 deg C (mg/L): 7.67e+004

log Kow used: 0.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

*** WARNING: Inorganic Compound (Outside Estimation Domain)***

*** WARNING: Wat Sol Estimation NOT Valid ***

Wat Sol (v1.01 est) = 60488 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

*** WARNING: Inorganic Compound (Outside Estimation Domain) **

*** WARNING: Estimation NOT VALID **

Bond Method : 8.69E-003 atm-m3/mole (8.81E+002 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: 2.227E-015 atm-m3/mole (2.257E-010 Pa-m3/mole)

VP: 3.81E-009 mm Hg (source: MPBPVP)

WS: 7.67E+004 mg/L (source: WSKOWWIN)

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

*** WARNING: Inorganic Compound (Outside Estimation Domain)**

*** WARNING: Estimation NOT VALID ***

Log Kow used: 0.23 (KowWin est)

Log Kaw used: -0.449 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 0.679

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

*** WARNING: Inorganic Compound (Outside Estimation Domain)**

*** WARNING: Estimation NOT VALID ***

Biowin1 (Linear Model) : 0.7313

Biowin2 (Non-Linear Model) : 0.9259

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1239 (weeks )

Biowin4 (Primary Survey Model) : 3.7986 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6108

Biowin6 (MITI Non-Linear Model): 0.8237

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8361

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 1.73E-005 Pa (1.3E-007 mm Hg)

Log Koa (Koawin est ): 0.679

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

Mackay model : 0.173

Octanol/air (Koa) model: 1.17E-012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.862

Mackay model : 0.933

Octanol/air (Koa) model: 9.38E-011

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

*** WARNING: Inorganic Compound (Outside Estimation Domain)***

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec

Half-Life = -------

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.897 (Junge-Pankow, Mackay avg)

9.38E-011 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

*** WARNING: Inorganic Coumpound (Outside Estimation Domain) **

*** WARNING: Estimation NOT VALID **

Koc : 13.22 L/kg (MCI method)

Log Koc: 1.121 (MCI method)

Koc : 1.582 L/kg (Kow method)

Log Koc: 0.199 (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 v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.5541 days (HL = 0.02792 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.005 (BCF = 0.9879)

Log BAF Arnot-Gobas method (upper trophic) = -0.005 (BAF = 0.9879)

log Kow used: 0.23 (estimated)

Volatilization from Water:

Henry LC: 0.00869 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 0.635 hours (38.10 min)

Half-Life from Model Lake : 55.88 hours (2.328 days)

Removal In Wastewater Treatment:

Total removal: 77.40 percent

Total biodegradation: 0.03 percent

Total sludge adsorption: 0.60 percent

Total to Air: 76.77 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 33.2 1e+005 1000

Water 48.4 360 1000

Soil 18.2 720 1000

Sediment 0.116 3.24e+003 0

Persistence Time: 203 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy