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CAS Number:



MOL FOR: C18 H30 O2

MOL WT : 278.44

------------------------------ 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) = 5.44

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

Boiling Pt (deg C): 313.26 (Adapted Stein & Brown method)

Melting Pt (deg C): 89.05 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000233 (Modified Grain method)

VP (Pa, 25 deg C) : 0.031 (Modified Grain method)

Subcooled liquid VP: 0.000963 mm Hg (25 deg C, Mod-Grain method)

: 0.128 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.3667

log Kow used: 5.44 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.16287 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 1.05E-003 atm-m3/mole (1.07E+002 Pa-m3/mole)

Group Method: 1.51E-004 atm-m3/mole (1.53E+001 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: 2.328E-004 atm-m3/mole (2.359E+001 Pa-m3/mole)

VP: 0.000233 mm Hg (source: MPBPVP)

WS: 0.367 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.44 (KowWin est)

Log Kaw used: -1.367 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.807

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4213

Biowin2 (Non-Linear Model) : 0.4226

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2998 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3681 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4625

Biowin6 (MITI Non-Linear Model): 0.1671

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6665

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.128 Pa (0.000963 mm Hg)

Log Koa (Koawin est ): 6.807

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

Mackay model : 2.34E-005

Octanol/air (Koa) model: 1.57E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000843

Mackay model : 0.00187

Octanol/air (Koa) model: 0.000126

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.5500 E-12 cm3/molecule-sec

Half-Life = 0.547 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.565 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00135 (Junge-Pankow, Mackay avg)

0.000126 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.404E+004 L/kg (MCI method)

Log Koc: 4.147 (MCI method)

Koc : 7388 L/kg (Kow method)

Log Koc: 3.869 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 9.548E-002 L/mol-sec

Kb Half-Life at pH 8: 84.020 days

Kb Half-Life at pH 7: 2.300 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.259 (BCF = 1816 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2784 days (HL = 1.899 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.863 (BCF = 729.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.885 (BAF = 766.9)

log Kow used: 5.44 (estimated)

Volatilization from Water:

Henry LC: 0.000151 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 8.173 hours

Half-Life from Model Lake : 229.1 hours (9.545 days)

Removal In Wastewater Treatment:

Total removal: 87.61 percent

Total biodegradation: 0.73 percent

Total sludge adsorption: 86.36 percent

Total to Air: 0.52 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.652 13.1 1000

Water 11.2 900 1000

Soil 79.3 1.8e+003 1000

Sediment 8.94 8.1e+003 0

Persistence Time: 1.09e+003 hr

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