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CAS Number: 26741-53-7

SMILES : O(P(OCC1(COP(O2)Oc(c(cc(c3)C(C)(C)C)C(C)(C)C)c3)C2)Oc(c(cc(c4)C(C)(C)

C)C(C)(C)C)c4)C1

CHEM : 2,4,8,10-Tetraoxa-3,9-diphosphaspiro 5.5 undecane, 3,9-bis 2,4-bis(1,

1-dimethylethyl)phenoxy -

MOL FOR: C33 H50 O6 P2

MOL WT : 604.71

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Physical Property Inputs:

------------------------------ EPI SUMMARY (v3.20) --------------------------

Water Solubility (mg/L): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 10.90

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

Boiling Pt (deg C): 595.14 (Adapted Stein & Brown method)

Melting Pt (deg C): 257.04 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.89E-013 (Modified Grain method)

VP (Pa, 25 deg C) : 3.86E-011 (Modified Grain method)

Subcooled liquid VP: 9.87E-011 mm Hg (25 deg C, Mod-Grain method)

: 1.32E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 7.414e-008

log Kow used: 10.90 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.0471e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.24E-009 atm-m3/mole (3.29E-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: 3.102E-006 atm-m3/mole (3.143E-001 Pa-m3/mole)

VP: 2.89E-013 mm Hg (source: MPBPVP)

WS: 7.41E-008 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.90 (KowWin est)

Log Kaw used: -6.878 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 17.778

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.4600

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 0.8022 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.2081 (months )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.6156

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.8426

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): 1.32E-008 Pa (9.87E-011 mm Hg)

Log Koa (Koawin est ): 17.778

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

Mackay model : 228

Octanol/air (Koa) model: 1.47E+005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 110.1136 E-12 cm3/molecule-sec

Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.166 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1E+010 L/kg (MCI method)

Log Koc: 10.383 (MCI method)

Koc : 2.882E+009 L/kg (Kow method)

Log Koc: 9.460 (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 v3.01):

Log BCF from regression-based method = 2.215 (BCF = 164 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 3.4857 days (HL = 3060 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.015 (BCF = 10.36)

Log BAF Arnot-Gobas method (upper trophic) = 4.669 (BAF = 4.664e+004)

log Kow used: 10.90 (estimated)

Volatilization from Water:

Henry LC: 3.24E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.444E+005 hours (1.852E+004 days)

Half-Life from Model Lake : 4.848E+006 hours (2.02E+005 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.00922 2.33 1000

Water 0.839 4.32e+003 1000

Soil 41.8 8.64e+003 1000

Sediment 57.3 3.89e+004 0

Persistence Time: 1.07e+004 hr

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