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CAS Number: 7372-30-7

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

CHEM :

MOL FOR: C32 H50 O4

MOL WT : 498.75

------------------------------ 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):

Log Kow (KOWWIN v1.68 estimate) = 8.92

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

Boiling Pt (deg C): 537.72 (Adapted Stein & Brown method)

Melting Pt (deg C): 230.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.87E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 2.5E-009 (Modified Grain method)

Subcooled liquid VP: 3.01E-009 mm Hg (25 deg C, Mod-Grain method)

: 4.01E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.333e-005

log Kow used: 8.92 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0028724 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters-acid

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

Bond Method : 6.29E-008 atm-m3/mole (6.37E-003 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: 2.832E-007 atm-m3/mole (2.870E-002 Pa-m3/mole)

VP: 1.87E-011 mm Hg (source: MPBPVP)

WS: 4.33E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.92 (KowWin est)

Log Kaw used: -5.590 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.510

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.1627

Biowin2 (Non-Linear Model) : 0.0003

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.5412 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.9755 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3530

Biowin6 (MITI Non-Linear Model): 0.0085

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.0300

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): 4.01E-007 Pa (3.01E-009 mm Hg)

Log Koa (Koawin est ): 14.510

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

Mackay model : 7.48

Octanol/air (Koa) model: 79.4

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.996

Mackay model : 0.998

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 121.8076 E-12 cm3/molecule-sec

Half-Life = 0.088 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.054 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):

0.997 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.276E+006 L/kg (MCI method)

Log Koc: 6.357 (MCI method)

Koc : 1.057E+005 L/kg (Kow method)

Log Koc: 5.024 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec

Kb Half-Life at pH 8: 266.184 days

Kb Half-Life at pH 7: 7.288 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.000 (BCF = 10 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.5664 days (HL = 368.4 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.629 (BCF = 425.6)

Log BAF Arnot-Gobas method (upper trophic) = 6.208 (BAF = 1.616e+006)

log Kow used: 8.92 (estimated)

Volatilization from Water:

Henry LC: 6.29E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.079E+004 hours (866.2 days)

Half-Life from Model Lake : 2.27E+005 hours (9458 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 0.0098 1.35 1000

Water 3.9 4.32e+003 1000

Soil 71 8.64e+003 1000

Sediment 25 3.89e+004 0

Persistence Time: 6.13e+003 hr

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