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CAS Number: 1069-29-0

SMILES : COC(=O)C(CSSCC(C(=O)OC)N)N

CHEM :

MOL FOR: C8 H16 N2 O4 S2

MOL WT : 268.35

------------------------------ EPI SUMMARY (v4.10) --------------------------

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):

Log Kow (KOWWIN v1.68 estimate) = -1.15

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

Boiling Pt (deg C): 344.75 (Adapted Stein & Brown method)

Melting Pt (deg C): 77.19 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.61E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00748 (Modified Grain method)

Subcooled liquid VP: 0.000176 mm Hg (25 deg C, Mod-Grain method)

: 0.0234 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -1.15 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

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

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

Esters

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

Bond Method : 5.11E-014 atm-m3/mole (5.17E-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: 1.981E-011 atm-m3/mole (2.007E-006 Pa-m3/mole)

VP: 5.61E-005 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -1.15 (KowWin est)

Log Kaw used: -11.680 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.530

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.2758

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9355 (weeks )

Biowin4 (Primary Survey Model) : 4.0051 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6662

Biowin6 (MITI Non-Linear Model): 0.4503

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0955

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): 0.0235 Pa (0.000176 mm Hg)

Log Koa (Koawin est ): 10.530

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

Mackay model : 0.000128

Octanol/air (Koa) model: 0.00832

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0046

Mackay model : 0.0101

Octanol/air (Koa) model: 0.4

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 299.1156 E-12 cm3/molecule-sec

Half-Life = 0.036 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 25.746 Min

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00736 (Junge-Pankow, Mackay avg)

0.4 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 31.79 L/kg (MCI method)

Log Koc: 1.502 (MCI method)

Koc : 1.301 L/kg (Kow method)

Log Koc: 0.114 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 9.256E-002 L/mol-sec

Kb Half-Life at pH 8: 86.667 days

Kb Half-Life at pH 7: 2.373 years

(Total Kb applies only to esters, carbmates, alkyl halides)

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) = -3.1308 days (HL = 0.0007399 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8944)

Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8944)

log Kow used: -1.15 (estimated)

Volatilization from Water:

Henry LC: 5.11E-014 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.877E+010 hours (7.82E+008 days)

Half-Life from Model Lake : 2.048E+011 hours (8.531E+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 1e-006 0.858 1000

Water 24.1 360 1000

Soil 75.8 720 1000

Sediment 0.0759 3.24e+003 0

Persistence Time: 697 hr

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