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CAS Number: 128821-84-1

SMILES : CCCCC(CC)CO

CHEM : (2S)-2-ethylhexan-1-ol

MOL FOR: C8 H18 O1

MOL WT : 130.23

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

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 v1.67 estimate) = 2.73

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

Boiling Pt (deg C): 188.52 (Adapted Stein & Brown method)

Melting Pt (deg C): -25.50 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.185 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 24.6 (Mean VP of Antoine & Grain methods)

MP (exp database): -70 deg C

BP (exp database): 184.6 deg C

VP (exp database): 1.36E-01 mm Hg (1.81E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1379

log Kow used: 2.73 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 880 mg/L (25 deg C)

Exper. Ref: AMIDON,GL ET AL. (1974)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1285.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.10E-005 atm-m3/mole (3.14E+000 Pa-m3/mole)

Group Method: 4.66E-005 atm-m3/mole (4.72E+000 Pa-m3/mole)

Exper Database: 2.65E-05 atm-m3/mole (2.69E+000 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: 2.299E-005 atm-m3/mole (2.329E+000 Pa-m3/mole)

VP: 0.185 mm Hg (source: MPBPVP)

WS: 1.38E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.73 (KowWin est)

Log Kaw used: -2.965 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.695

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9527

Biowin2 (Non-Linear Model) : 0.9840

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3697 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0584 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6831

Biowin6 (MITI Non-Linear Model): 0.8649

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4561

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): 18.1 Pa (0.136 mm Hg)

Log Koa (Koawin est ): 5.695

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

Mackay model : 1.65E-007

Octanol/air (Koa) model: 1.22E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.98E-006

Mackay model : 1.32E-005

Octanol/air (Koa) model: 9.73E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.2293 E-12 cm3/molecule-sec

Half-Life = 0.809 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.702 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.61E-006 (Junge-Pankow, Mackay avg)

9.73E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 35.28 L/kg (MCI method)

Log Koc: 1.547 (MCI method)

Koc : 105.6 L/kg (Kow method)

Log Koc: 2.024 (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 = 1.470 (BCF = 29.48 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6389 days (HL = 0.2297 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.543 (BCF = 34.88)

Log BAF Arnot-Gobas method (upper trophic) = 1.543 (BAF = 34.88)

log Kow used: 2.73 (estimated)

Volatilization from Water:

Henry LC: 2.65E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 26.38 hours (1.099 days)

Half-Life from Model Lake : 383.4 hours (15.98 days)

Removal In Wastewater Treatment:

Total removal: 5.32 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.80 percent

Total to Air: 1.41 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.18 19.4 1000

Water 31.9 208 1000

Soil 64.8 416 1000

Sediment 0.0959 1.87e+003 0

Persistence Time: 255 hr

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