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CAS Number: 7147-34-4

SMILES : CCCCC(CC)COC(=O)CC(O)(C(=O)OCC(CCCC)CC)CC(=O)OCC(CCCC)CC

CHEM :

MOL FOR: C30 H56 O7

MOL WT : 528.78

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 8.95

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

Boiling Pt (deg C): 513.91 (Adapted Stein & Brown method)

Melting Pt (deg C): 178.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.79E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 2.39E-010 (Modified Grain method)

Subcooled liquid VP: 7.01E-011 mm Hg (25 deg C, Mod-Grain method)

: 9.34E-009 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.418e-005

log Kow used: 8.95 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00012053 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 1.05E-007 atm-m3/mole (1.06E-002 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: 3.644E-008 atm-m3/mole (3.692E-003 Pa-m3/mole)

VP: 1.79E-012 mm Hg (source: MPBPVP)

WS: 3.42E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.95 (KowWin est)

Log Kaw used: -5.367 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.317

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1597

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1342 (weeks )

Biowin4 (Primary Survey Model) : 4.4255 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9284

Biowin6 (MITI Non-Linear Model): 0.8925

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4689

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): 9.35E-009 Pa (7.01E-011 mm Hg)

Log Koa (Koawin est ): 14.317

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

Mackay model : 321

Octanol/air (Koa) model: 50.9

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 = 35.0600 E-12 cm3/molecule-sec

Half-Life = 0.305 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.661 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 : 8.085E+005 L/kg (MCI method)

Log Koc: 5.908 (MCI method)

Koc : 2.153E+005 L/kg (Kow method)

Log Koc: 5.333 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 7.355E-003 L/mol-sec

Kb Half-Life at pH 8: 2.986 years

Kb Half-Life at pH 7: 29.862 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.570 (BCF = 371.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3109 days (HL = 0.04888 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.000 (BCF = 1.001)

Log BAF Arnot-Gobas method (upper trophic) = 0.001 (BAF = 1.001)

log Kow used: 8.95 (estimated)

Volatilization from Water:

Henry LC: 1.05E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.282E+004 hours (534.4 days)

Half-Life from Model Lake : 1.401E+005 hours (5837 days)

Removal In Wastewater Treatment:

Total removal: 94.03 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 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 0.422 7.32 1000

Water 19.1 360 1000

Soil 70.8 720 1000

Sediment 9.74 3.24e+003 0

Persistence Time: 587 hr

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