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CAS Number: 93385-13-8

SMILES : CCCCCCCCCCC(CCCCCC)COCC(C)OCCOC(=O)C

CHEM :

MOL FOR: C25 H50 O4

MOL WT : 414.68

------------------------------ 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) = 8.52

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

Boiling Pt (deg C): 428.73 (Adapted Stein & Brown method)

Melting Pt (deg C): 145.91 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.79E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 1.31E-005 (Modified Grain method)

Subcooled liquid VP: 1.65E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.00022 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.0001322

log Kow used: 8.52 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00096249 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

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

Bond Method : 6.95E-006 atm-m3/mole (7.04E-001 Pa-m3/mole)

Group Method: 5.11E-007 atm-m3/mole (5.18E-002 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: 4.041E-004 atm-m3/mole (4.094E+001 Pa-m3/mole)

VP: 9.79E-008 mm Hg (source: MPBPVP)

WS: 0.000132 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.52 (KowWin est)

Log Kaw used: -3.546 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.066

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2464

Biowin2 (Non-Linear Model) : 0.1222

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0023 (weeks )

Biowin4 (Primary Survey Model) : 3.9971 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6149

Biowin6 (MITI Non-Linear Model): 0.5976

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3242

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): 0.00022 Pa (1.65E-006 mm Hg)

Log Koa (Koawin est ): 12.066

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

Mackay model : 0.0136

Octanol/air (Koa) model: 0.286

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.33

Mackay model : 0.522

Octanol/air (Koa) model: 0.958

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 67.4882 E-12 cm3/molecule-sec

Half-Life = 0.158 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.902 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.426 (Junge-Pankow, Mackay avg)

0.958 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8.087E+004 L/kg (MCI method)

Log Koc: 4.908 (MCI method)

Koc : 2.46E+005 L/kg (Kow method)

Log Koc: 5.391 (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 = 2.784 (BCF = 608.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3118 days (HL = 2.05 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.115 (BCF = 13.04)

Log BAF Arnot-Gobas method (upper trophic) = 2.028 (BAF = 106.6)

log Kow used: 8.52 (estimated)

Volatilization from Water:

Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2335 hours (97.3 days)

Half-Life from Model Lake : 2.565E+004 hours (1069 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 0.323 3.8 1000

Water 22.8 360 1000

Soil 73.8 720 1000

Sediment 3.09 3.24e+003 0

Persistence Time: 499 hr

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