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CAS Number: 38112-60-6



MOL FOR: C16 H30 O2

MOL WT : 254.42

------------------------------ 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) = 6.54

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

Boiling Pt (deg C): 315.21 (Adapted Stein & Brown method)

Melting Pt (deg C): 43.23 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000592 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0789 (Modified Grain method)

Subcooled liquid VP: 0.000867 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.05783

log Kow used: 6.54 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.089445 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 3.27E-003 atm-m3/mole (3.31E+002 Pa-m3/mole)

Group Method: 2.34E-003 atm-m3/mole (2.37E+002 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: 3.427E-003 atm-m3/mole (3.472E+002 Pa-m3/mole)

VP: 0.000592 mm Hg (source: MPBPVP)

WS: 0.0578 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.54 (KowWin est)

Log Kaw used: -0.874 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.414

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9090

Biowin2 (Non-Linear Model) : 0.9951

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0755 (weeks )

Biowin4 (Primary Survey Model) : 3.9787 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8558

Biowin6 (MITI Non-Linear Model): 0.9204

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6699

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): 0.116 Pa (0.000867 mm Hg)

Log Koa (Koawin est ): 7.414

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

Mackay model : 2.6E-005

Octanol/air (Koa) model: 6.37E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000936

Mackay model : 0.00207

Octanol/air (Koa) model: 0.000509

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.1710 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 37.8310 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 3.649 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 3.393 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.568750 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec [Trans-]

Half-Life = 2.015 Days (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.007 Days (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

0.0015 (Junge-Pankow, Mackay avg)

0.000509 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7843 L/kg (MCI method)

Log Koc: 3.894 (MCI method)

Koc : 2.999E+004 L/kg (Kow method)

Log Koc: 4.477 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 8.835E-003 L/mol-sec

Kb Half-Life at pH 8: 2.486 years

Kb Half-Life at pH 7: 24.859 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.609 (BCF = 406.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0488 days (HL = 1.119 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.432 (BCF = 270.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.516 (BAF = 328.3)

log Kow used: 6.54 (estimated)

Volatilization from Water:

Henry LC: 0.00234 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.027 hours

Half-Life from Model Lake : 155.9 hours (6.494 days)

Removal In Wastewater Treatment:

Total removal: 93.57 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.28 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 0.971 6.34 1000

Water 16.5 360 1000

Soil 79.2 720 1000

Sediment 3.33 3.24e+003 0

Persistence Time: 415 hr

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