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CAS Number: 9045-28-7

SMILES : CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4

)CO)OC)O)OC(=O)C)O)O)O)O

CHEM :

MOL FOR: C29 H50 O21

MOL WT : 734.71

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = -4.97

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

Boiling Pt (deg C): 959.37 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.14E-031 (Modified Grain method)

VP (Pa, 25 deg C) : 4.18E-029 (Modified Grain method)

Subcooled liquid VP: 1.61E-027 mm Hg (25 deg C, Mod-Grain method)

: 2.14E-025 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.599e+005

log Kow used: -4.97 (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:

Esters

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

Bond Method : 9.11E-039 atm-m3/mole (9.23E-034 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: 2.686E-036 atm-m3/mole (2.722E-031 Pa-m3/mole)

VP: 1E-030 mm Hg (source: MPBPVP)

WS: 3.6E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -4.97 (KowWin est)

Log Kaw used: -36.429 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 31.459

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.9670

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2374 (weeks )

Biowin4 (Primary Survey Model) : 4.2235 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9429

Biowin6 (MITI Non-Linear Model): 0.0004

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5950

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): 2.15E-025 Pa (1.61E-027 mm Hg)

Log Koa (Koawin est ): 31.459

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

Mackay model : 1.4E+019

Octanol/air (Koa) model: 7.06E+018

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 = 282.9288 E-12 cm3/molecule-sec

Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 27.219 Min

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 : 848.7 L/kg (MCI method)

Log Koc: 2.929 (MCI method)

Koc : 0.0004502 L/kg (Kow method)

Log Koc: -3.347 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.805E-003 L/mol-sec

Kb Half-Life at pH 8: 7.829 years

Kb Half-Life at pH 7: 78.287 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -5.0413 days (HL = 9.092e-006 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: -4.97 (estimated)

Volatilization from Water:

Henry LC: 9.11E-039 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.742E+035 hours (7.258E+033 days)

Half-Life from Model Lake : 1.9E+036 hours (7.918E+034 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 2.79e-010 0.907 1000

Water 16.3 360 1000

Soil 83.2 720 1000

Sediment 0.502 3.24e+003 0

Persistence Time: 781 hr

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