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CAS Number: 54717-17-8


CHEM : 2,4,6-triethyl-1,3,5-dithiazinane

MOL FOR: C9 H19 N1 S2

MOL WT : 205.38

------------------------------ 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):

Log Kow (KOWWIN v1.67 estimate) = 2.92

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

Boiling Pt (deg C): 292.55 (Adapted Stein & Brown method)

Melting Pt (deg C): 87.08 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000734 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0978 (Modified Grain method)

Subcooled liquid VP: 0.0029 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1352

log Kow used: 2.92 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2180.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 7.53E-004 atm-m3/mole (7.63E+001 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: 1.467E-007 atm-m3/mole (1.487E-002 Pa-m3/mole)

VP: 0.000734 mm Hg (source: MPBPVP)

WS: 1.35E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.92 (KowWin est)

Log Kaw used: -1.512 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.432

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8036

Biowin2 (Non-Linear Model) : 0.7689

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7698 (weeks )

Biowin4 (Primary Survey Model) : 3.5947 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3212

Biowin6 (MITI Non-Linear Model): 0.0613

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9710

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): 0.387 Pa (0.0029 mm Hg)

Log Koa (Koawin est ): 4.432

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

Mackay model : 7.76E-006

Octanol/air (Koa) model: 6.64E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00028

Mackay model : 0.00062

Octanol/air (Koa) model: 5.31E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 561.7147 E-12 cm3/molecule-sec

Half-Life = 0.019 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 13.710 Min

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00045 (Junge-Pankow, Mackay avg)

5.31E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1569 L/kg (MCI method)

Log Koc: 3.196 (MCI method)

Koc : 313.8 L/kg (Kow method)

Log Koc: 2.497 (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 = 1.591 (BCF = 39 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0850 days (HL = 1.216 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.874 (BCF = 74.83)

Log BAF Arnot-Gobas method (upper trophic) = 1.874 (BAF = 74.83)

log Kow used: 2.92 (estimated)

Volatilization from Water:

Henry LC: 0.000753 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.577 hours

Half-Life from Model Lake : 148.3 hours (6.178 days)

Removal In Wastewater Treatment:

Total removal: 27.78 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 4.26 percent

Total to Air: 23.42 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0822 0.457 1000

Water 17.8 360 1000

Soil 81.2 720 1000

Sediment 0.937 3.24e+003 0

Persistence Time: 391 hr

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