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CAS Num: 022810-10-2

SMILES : O(CCC(CCCC(C)C)C)CC

CHEM : Octane, 1-ethoxy-3,7-dimethyl-

MOL FOR: C12 H26 O1

MOL WT : 186.34

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

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.83

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

Boiling Pt (deg C): 202.42 (Adapted Stein & Brown method)

Melting Pt (deg C): -25.70 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.461 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 61.5 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 3.838

log Kow used: 4.83 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 16.978 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.47E-002 atm-m3/mole (1.49E+003 Pa-m3/mole)

Group Method: 2.08E-002 atm-m3/mole (2.11E+003 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: 2.945E-002 atm-m3/mole (2.984E+003 Pa-m3/mole)

VP: 0.461 mm Hg (source: MPBPVP)

WS: 3.84 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.83 (KowWin est)

Log Kaw used: -0.221 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.051

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3115

Biowin2 (Non-Linear Model) : 0.0445

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7787 (weeks )

Biowin4 (Primary Survey Model) : 3.5692 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3560

Biowin6 (MITI Non-Linear Model): 0.3762

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0848

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): 56.5 Pa (0.424 mm Hg)

Log Koa (Koawin est ): 5.051

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

Mackay model : 5.31E-008

Octanol/air (Koa) model: 2.76E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.92E-006

Mackay model : 4.25E-006

Octanol/air (Koa) model: 2.21E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 27.2643 E-12 cm3/molecule-sec

Half-Life = 0.392 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.708 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.08E-006 (Junge-Pankow, Mackay avg)

2.21E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 873.9 L/kg (MCI method)

Log Koc: 2.941 (MCI method)

Koc : 3207 L/kg (Kow method)

Log Koc: 3.506 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.854 (BCF = 715.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1897 days (HL = 1.548 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.769 (BCF = 587.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.773 (BAF = 592.4)

log Kow used: 4.83 (estimated)

Volatilization from Water:

Henry LC: 0.0208 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.431 hours

Half-Life from Model Lake : 130.1 hours (5.42 days)

Removal In Wastewater Treatment:

Total removal: 93.39 percent

Total biodegradation: 0.25 percent

Total sludge adsorption: 49.97 percent

Total to Air: 43.18 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.41 9.42 1000

Water 44.1 360 1000

Soil 48.1 720 1000

Sediment 1.38 3.24e+003 0

Persistence Time: 141 hr

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