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CAS Number: 13845-36-8

SMILES : O(K)P(=O)(O(K))OP(=O)(O(K))OP(=O)(O(K))O(K)

CHEM :

MOL FOR: O10 P3 K5

MOL WT : 448.41

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = -13.26

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

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

*** WARNING: Estimations NOT VALID ***

Boiling Pt (deg C): 480.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 90.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.06E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 2.74E-006 (Modified Grain method)

Subcooled liquid VP: 8.76E-008 mm Hg (25 deg C, Mod-Grain method)

: 1.17E-005 Pa (25 deg C, Mod-Grain method)

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

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

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

log Kow used: -13.26 (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) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Inorganic Compound

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

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

*** WARNING: Estimation NOT VALID **

Bond Method : Incomplete

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: 1.215E-014 atm-m3/mole (1.232E-009 Pa-m3/mole)

VP: 2.06E-008 mm Hg (source: MPBPVP)

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

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

Can Not Estimate (can not calculate HenryLC)

Probability of Rapid Biodegradation (BIOWIN v4.10):

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

*** WARNING: Estimation NOT VALID ***

Biowin1 (Linear Model) : 0.6247

Biowin2 (Non-Linear Model) : 0.3420

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6291 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4756 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.0553

Biowin6 (MITI Non-Linear Model): 0.0072

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): 1.17E-005 Pa (8.76E-008 mm Hg)

Log Koa (): not available

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

Mackay model : 0.257

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.903

Mackay model : 0.954

Octanol/air (Koa) model: not available

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):

0.928 (Junge-Pankow, Mackay avg)

not available (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 : 84.78 L/kg (MCI method)

Log Koc: 1.928 (MCI method)

Koc : 4.942E-007 L/kg (Kow method)

Log Koc: -6.306 (Kow method)

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) = -3.5191 days (HL = 0.0003026 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: -2.71 (estimated)

Volatilization from Water:

Henry LC: 1.22E-014 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 1.02E+011 hours (4.25E+009 days)

Half-Life from Model Lake : 1.113E+012 hours (4.637E+010 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 1.15e-006 1e+005 1000

Water 18.1 900 1000

Soil 81.8 1.8e+003 1000

Sediment 0.108 8.1e+003 0

Persistence Time: 1.57e+003 hr

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