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CAS Num: 000626-93-7


CHEM : 2-Hexanol

MOL FOR: C6 H14 O1

MOL WT : 102.18

------------------------------ 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) = 1.75

Log Kow (Exper. database match) = 1.76

Exper. Ref: FUNASAKI,N ET AL. (1986)

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

Boiling Pt (deg C): 138.62 (Adapted Stein & Brown method)

Melting Pt (deg C): -51.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.94 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 392 (Mean VP of Antoine & Grain methods)

BP (exp database): 136 deg C

VP (exp database): 2.49E+00 mm Hg (3.32E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1.171e+004

log Kow used: 1.76 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1.37e+004 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 11959 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.76E-005 atm-m3/mole (1.78E+000 Pa-m3/mole)

Group Method: 3.22E-005 atm-m3/mole (3.27E+000 Pa-m3/mole)

Exper Database: 2.44E-05 atm-m3/mole (2.47E+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: 3.376E-005 atm-m3/mole (3.420E+000 Pa-m3/mole)

VP: 2.94 mm Hg (source: MPBPVP)

WS: 1.17E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.76 (exp database)

Log Kaw used: -3.001 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.761

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9661

Biowin2 (Non-Linear Model) : 0.9892

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4317 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0988 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6677

Biowin6 (MITI Non-Linear Model): 0.8591

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4041

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): 332 Pa (2.49 mm Hg)

Log Koa (Koawin est ): 4.761

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

Mackay model : 9.04E-009

Octanol/air (Koa) model: 1.42E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.26E-007

Mackay model : 7.23E-007

Octanol/air (Koa) model: 1.13E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 12.8012 E-12 cm3/molecule-sec

Half-Life = 0.836 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.027 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.25E-007 (Junge-Pankow, Mackay avg)

1.13E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9.695 L/kg (MCI method)

Log Koc: 0.987 (MCI method)

Koc : 30.7 L/kg (Kow method)

Log Koc: 1.487 (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 = 0.828 (BCF = 6.734 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9141 days (HL = 0.1219 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.744 (BCF = 5.545)

Log BAF Arnot-Gobas method (upper trophic) = 0.744 (BAF = 5.545)

log Kow used: 1.76 (expkow database)

Volatilization from Water:

Henry LC: 2.44E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 25.29 hours (1.054 days)

Half-Life from Model Lake : 360.6 hours (15.03 days)

Removal In Wastewater Treatment:

Total removal: 3.38 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.96 percent

Total to Air: 1.33 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.84 21.2 1000

Water 37.4 208 1000

Soil 58.7 416 1000

Sediment 0.0783 1.87e+003 0

Persistence Time: 236 hr

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