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CAS Number: 68154-97-2

SMILES : CCCCCCCCCCOCC

CHEM : Alcohols, C10-12, ethoxylated propoxylated

MOL FOR: C12 H26 O1

MOL WT : 186.34

------------------------------ 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) = 4.98

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

Boiling Pt (deg C): 225.63 (Adapted Stein & Brown method)

Melting Pt (deg C): -3.92 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.15 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 19.9 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2.874

log Kow used: 4.98 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.0449 mg/L

ECOSAR Class Program (ECOSAR v1.11):

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: 1.44E-002 atm-m3/mole (1.46E+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: 1.280E-002 atm-m3/mole (1.297E+003 Pa-m3/mole)

VP: 0.15 mm Hg (source: MPBPVP)

WS: 2.87 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.98 (KowWin est)

Log Kaw used: -0.221 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.201

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4199

Biowin2 (Non-Linear Model) : 0.2274

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0771 (weeks )

Biowin4 (Primary Survey Model) : 3.8382 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6542

Biowin6 (MITI Non-Linear Model): 0.7978

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3619

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): 18.8 Pa (0.141 mm Hg)

Log Koa (Koawin est ): 5.201

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

Mackay model : 1.6E-007

Octanol/air (Koa) model: 3.9E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.76E-006

Mackay model : 1.28E-005

Octanol/air (Koa) model: 3.12E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.9965 E-12 cm3/molecule-sec

Half-Life = 0.396 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.754 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.26E-006 (Junge-Pankow, Mackay avg)

3.12E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1180 L/kg (MCI method)

Log Koc: 3.072 (MCI method)

Koc : 3882 L/kg (Kow method)

Log Koc: 3.589 (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 = 1.577 (BCF = 37.77 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2580 days (HL = 1.811 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.839 (BCF = 690.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.846 (BAF = 702)

log Kow used: 4.98 (estimated)

Volatilization from Water:

Henry LC: 0.0144 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.448 hours

Half-Life from Model Lake : 130.3 hours (5.428 days)

Removal In Wastewater Treatment:

Total removal: 91.95 percent

Total biodegradation: 0.33 percent

Total sludge adsorption: 57.52 percent

Total to Air: 34.10 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.67 9.51 1000

Water 33.8 360 1000

Soil 60.1 720 1000

Sediment 1.37 3.24e+003 0

Persistence Time: 184 hr

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