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CAS Number: 68987-81-5

SMILES : CCCCCCOCC

CHEM : Alcohols, C6-10, ethoxylated propoxylated

MOL FOR: C8 H18 O1

MOL WT : 130.23

------------------------------ 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) = 3.01

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

Boiling Pt (deg C): 143.56 (Adapted Stein & Brown method)

Melting Pt (deg C): -50.42 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.99 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 931 (Mean VP of Antoine & Grain methods)

BP (exp database): 143 deg C

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

Water Solubility at 25 deg C (mg/L): 244.9

log Kow used: 3.01 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 594.12 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.72E-003 atm-m3/mole (4.78E+002 Pa-m3/mole)

Group Method: 3.62E-003 atm-m3/mole (3.67E+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: 4.891E-003 atm-m3/mole (4.956E+002 Pa-m3/mole)

VP: 6.99 mm Hg (source: MPBPVP)

WS: 245 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.01 (KowWin est)

Log Kaw used: -0.715 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.725

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4466

Biowin2 (Non-Linear Model) : 0.3950

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2010 (weeks )

Biowin4 (Primary Survey Model) : 3.9192 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6235

Biowin6 (MITI Non-Linear Model): 0.7815

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2579

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): 859 Pa (6.44 mm Hg)

Log Koa (Koawin est ): 3.725

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

Mackay model : 3.49E-009

Octanol/air (Koa) model: 1.3E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.26E-007

Mackay model : 2.8E-007

Octanol/air (Koa) model: 1.04E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.3443 E-12 cm3/molecule-sec

Half-Life = 0.501 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.013 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.03E-007 (Junge-Pankow, Mackay avg)

1.04E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 107 L/kg (MCI method)

Log Koc: 2.029 (MCI method)

Koc : 315.8 L/kg (Kow method)

Log Koc: 2.499 (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 v3.01):

Log BCF from regression-based method = 1.655 (BCF = 45.22 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2986 days (HL = 0.5028 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.853 (BCF = 71.36)

Log BAF Arnot-Gobas method (upper trophic) = 1.853 (BAF = 71.36)

log Kow used: 3.01 (estimated)

Volatilization from Water:

Henry LC: 0.00362 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.349 hours

Half-Life from Model Lake : 110.4 hours (4.6 days)

Removal In Wastewater Treatment:

Total removal: 60.41 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 3.85 percent

Total to Air: 56.50 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 8.64 12 1000

Water 49.4 360 1000

Soil 41.7 720 1000

Sediment 0.302 3.24e+003 0

Persistence Time: 130 hr

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