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CAS Number: 7773-06-0

SMILES : NS(=O)(=O)O

CHEM : Sulfamic acid, monoammonium salt

MOL FOR: H3 N1 O3 S1

MOL WT : 97.09

------------------------------ 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) = -4.34

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

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

*** WARNING: Estimations NOT VALID ***

Boiling Pt (deg C): 602.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 260.56 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.51E-015 (Modified Grain method)

VP (Pa, 25 deg C) : 2.01E-013 (Modified Grain method)

MP (exp database): 205 dec deg C

Subcooled liquid VP: 1.21E-013 mm Hg (25 deg C, Mod-Grain method)

: 1.61E-011 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): 1e+006

log Kow used: -4.34 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1.47e+005 mg/L (0 deg C)

Exper. Ref: SHIU,WY ET AL. (1990)

Water Sol Estimate from Fragments:

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

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

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Amides

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

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

*** WARNING: Estimation NOT VALID **

Bond Method : 4.26E-009 atm-m3/mole (4.32E-004 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: 1.929E-022 atm-m3/mole (1.955E-017 Pa-m3/mole)

VP: 1.51E-015 mm Hg (source: MPBPVP)

WS: 1E+006 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: -4.34 (KowWin est)

Log Kaw used: -6.759 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.419

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) : 0.7013

Biowin2 (Non-Linear Model) : 0.8362

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9846 (weeks )

Biowin4 (Primary Survey Model) : 3.7077 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4233

Biowin6 (MITI Non-Linear Model): 0.4311

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8361

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): 1.61E-011 Pa (1.21E-013 mm Hg)

Log Koa (Koawin est ): 2.419

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

Mackay model : 1.86E+005

Octanol/air (Koa) model: 6.44E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 5.15E-009

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

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.1400 E-12 cm3/molecule-sec

Half-Life = 76.400 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

5.15E-009 (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 : 2.21 L/kg (MCI method)

Log Koc: 0.344 (MCI method)

Koc : 0.04852 L/kg (Kow method)

Log Koc: -1.314 (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) = -3.1211 days (HL = 0.0007567 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)

log Kow used: -4.34 (estimated)

Volatilization from Water:

Henry LC: 4.26E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.354E+005 hours (5643 days)

Half-Life from Model Lake : 1.477E+006 hours (6.156E+004 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 1.54 1.83e+003 1000

Water 37.3 360 1000

Soil 61.1 720 1000

Sediment 0.0717 3.24e+003 0

Persistence Time: 544 hr

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