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CAS Number: 178900-23-7

SMILES : O=C(C)OCCOCCOCCOC(C)COC(C)COC(C)CC(C)CC(C)CC(C)CC(C)CC

CHEM : PROPYLENE GLYCOL ISOCETETH-3 ACETATE

MOL FOR: C30 H60 O7

MOL WT : 532.81

------------------------------ 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) = 6.84

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

Boiling Pt (deg C): 487.94 (Adapted Stein & Brown method)

Melting Pt (deg C): 187.21 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.11E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 1.48E-007 (Modified Grain method)

Subcooled liquid VP: 5.53E-008 mm Hg (25 deg C, Mod-Grain method)

: 7.38E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.0006403

log Kow used: 6.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.225 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

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

Bond Method : 1.96E-011 atm-m3/mole (1.99E-006 Pa-m3/mole)

Group Method: 1.69E-014 atm-m3/mole (1.71E-009 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.215E-006 atm-m3/mole (1.231E-001 Pa-m3/mole)

VP: 1.11E-009 mm Hg (source: MPBPVP)

WS: 0.00064 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.84 (KowWin est)

Log Kaw used: -9.096 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.936

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -1.0687

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1186 (months )

Biowin4 (Primary Survey Model) : 3.2593 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.2305

Biowin6 (MITI Non-Linear Model): 0.0028

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.8176

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): 7.37E-006 Pa (5.53E-008 mm Hg)

Log Koa (Koawin est ): 15.936

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

Mackay model : 0.407

Octanol/air (Koa) model: 2.12E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.936

Mackay model : 0.97

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 114.4817 E-12 cm3/molecule-sec

Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.121 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.953 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.207E+004 L/kg (MCI method)

Log Koc: 4.082 (MCI method)

Koc : 1.549E+004 L/kg (Kow method)

Log Koc: 4.190 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.632E-001 L/mol-sec

Kb Half-Life at pH 8: 30.478 days

Kb Half-Life at pH 7: 304.777 days

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.803 (BCF = 634.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4278 days (HL = 0.3734 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.815 (BCF = 65.27)

Log BAF Arnot-Gobas method (upper trophic) = 1.833 (BAF = 68.15)

log Kow used: 6.84 (estimated)

Volatilization from Water:

Henry LC: 1.69E-014 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 7.997E+010 hours (3.332E+009 days)

Half-Life from Model Lake : 8.724E+011 hours (3.635E+010 days)

Removal In Wastewater Treatment:

Total removal: 93.76 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 92.98 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 1.61e-006 2.24 1000

Water 7.96 1.44e+003 1000

Soil 86.6 2.88e+003 1000

Sediment 5.47 1.3e+004 0

Persistence Time: 3.03e+003 hr

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