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CAS Number: 67762-41-8

SMILES : OCCCCCCCCCC

CHEM : Alcohols, C10-16

MOL FOR: C10 H22 O1

MOL WT : 158.29

------------------------------ 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) = 3.79

Log Kow (Exper. database match) = 4.57

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 238.62 (Adapted Stein & Brown method)

Melting Pt (deg C): 7.89 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0109 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.45 (Mean VP of Antoine & Grain methods)

MP (exp database): 6.9 deg C

BP (exp database): 231.1 deg C

VP (exp database): 8.51E-03 mm Hg (1.13E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 28.21

log Kow used: 4.57 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 37 mg/L (25 deg C)

Exper. Ref: BARTON,AFM (1984)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 78.606 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.47E-005 atm-m3/mole (5.54E+000 Pa-m3/mole)

Group Method: 7.73E-005 atm-m3/mole (7.84E+000 Pa-m3/mole)

Exper Database: 3.20E-05 atm-m3/mole (3.24E+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: 8.048E-005 atm-m3/mole (8.154E+000 Pa-m3/mole)

VP: 0.0109 mm Hg (source: MPBPVP)

WS: 28.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.57 (exp database)

Log Kaw used: -2.883 (exp database)

Log Koa (KOAWIN v1.10 estimate): 7.453

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9393

Biowin2 (Non-Linear Model) : 0.9764

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3077 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0179 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8475

Biowin6 (MITI Non-Linear Model): 0.9451

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8055

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): 1.13 Pa (0.00851 mm Hg)

Log Koa (Koawin est ): 7.453

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

Mackay model : 2.64E-006

Octanol/air (Koa) model: 6.97E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.55E-005

Mackay model : 0.000211

Octanol/air (Koa) model: 0.000557

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.3683 E-12 cm3/molecule-sec

Half-Life = 0.696 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.352 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000153 (Junge-Pankow, Mackay avg)

0.000557 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 127.1 L/kg (MCI method)

Log Koc: 2.104 (MCI method)

Koc : 1100 L/kg (Kow method)

Log Koc: 3.041 (Kow method)

Experimental Log Koc: 2.59 (database)

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 = 1.308 (BCF = 20.32 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1031 days (HL = 0.7888 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.486 (BCF = 305.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.486 (BAF = 306.3)

log Kow used: 4.57 (expkow database)

Volatilization from Water:

Henry LC: 3.2E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 24.3 hours (1.013 days)

Half-Life from Model Lake : 370.6 hours (15.44 days)

Removal In Wastewater Treatment:

Total removal: 60.05 percent

Total biodegradation: 0.54 percent

Total sludge adsorption: 58.86 percent

Total to Air: 0.64 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.6 16.7 1000

Water 28.1 208 1000

Soil 69.1 416 1000

Sediment 0.163 1.87e+003 0

Persistence Time: 269 hr

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