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CAS Number: 950170-99-7

SMILES : CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OP(=O)(O(K))O(K))C)C)C2C1C)C

)C(=O)O(K)

CHEM :

MOL FOR: C30 H46 O6 P1 K3

MOL WT : 650.97

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

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

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

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

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

Physical Property Inputs:

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = -1.01

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

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):

Water Solubility at 25 deg C (mg/L): 536.8

log Kow used: -1.01 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.069382 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics-acid

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

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: 3.287E-011 atm-m3/mole (3.331E-006 Pa-m3/mole)

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

WS: 537 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):

Biowin1 (Linear Model) : -0.3549

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.3171 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.6918 (weeks-months)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.1040

Biowin6 (MITI Non-Linear Model): 0.0002

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.1222

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]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 176.7175 E-12 cm3/molecule-sec

Half-Life = 0.061 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.726 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec

Half-Life = 0.155 Days (at 7E11 mol/cm3)

Half-Life = 3.720 Hrs

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):

Koc : 2.049E+006 L/kg (MCI method)

Log Koc: 6.312 (MCI method)

Koc : 0.5017 L/kg (Kow method)

Log Koc: -0.300 (Kow method)

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

Phosphorus esters hydrolysis rates available (see Full Output)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.9771 days (HL = 94.87 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.205 (BCF = 1603)

Log BAF Arnot-Gobas method (upper trophic) = 6.358 (BAF = 2.282e+006)

log Kow used: 7.84 (estimated)

Volatilization from Water:

Henry LC: 3.29E-011 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 4.545E+007 hours (1.894E+006 days)

Half-Life from Model Lake : 4.958E+008 hours (2.066E+007 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 0.000312 1.04 1000

Water 0.707 4.32e+003 1000

Soil 53.2 8.64e+003 1000

Sediment 46.1 3.89e+004 0

Persistence Time: 1.42e+004 hr

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