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CAS Number:



MOL FOR: C14 H24

MOL WT : 192.35

------------------------------ 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) = 5.85

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

Boiling Pt (deg C): 232.46 (Adapted Stein & Brown method)

Melting Pt (deg C): 37.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.078 (Modified Grain method)

VP (Pa, 25 deg C) : 10.4 (Modified Grain method)

Subcooled liquid VP: 0.101 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.1393

log Kow used: 5.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.21339 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.33E-001 atm-m3/mole (3.37E+004 Pa-m3/mole)

Group Method: 1.69E-001 atm-m3/mole (1.71E+004 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: 1.417E-001 atm-m3/mole (1.436E+004 Pa-m3/mole)

VP: 0.078 mm Hg (source: MPBPVP)

WS: 0.139 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.85 (KowWin est)

Log Kaw used: 1.134 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.716

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2881

Biowin2 (Non-Linear Model) : 0.0403

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3499 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2633 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3941

Biowin6 (MITI Non-Linear Model): 0.2554

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7848

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.4974

BioHC Half-Life (days) : 314.3235

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

Vapor pressure (liquid/subcooled): 13.5 Pa (0.101 mm Hg)

Log Koa (Koawin est ): 4.716

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

Mackay model : 2.23E-007

Octanol/air (Koa) model: 1.28E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.05E-006

Mackay model : 1.78E-005

Octanol/air (Koa) model: 1.02E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 97.6847 E-12 cm3/molecule-sec

Half-Life = 0.109 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.314 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1.29E-005 (Junge-Pankow, Mackay avg)

1.02E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9058 L/kg (MCI method)

Log Koc: 3.957 (MCI method)

Koc : 1.193E+005 L/kg (Kow method)

Log Koc: 5.077 (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 v3.01):

Log BCF from regression-based method = 3.529 (BCF = 3381 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3926 days (HL = 24.69 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.798 (BCF = 6280)

Log BAF Arnot-Gobas method (upper trophic) = 4.853 (BAF = 7.137e+004)

log Kow used: 5.85 (estimated)

Volatilization from Water:

Henry LC: 0.333 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.418 hours

Half-Life from Model Lake : 131.8 hours (5.49 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.06 percent

Total biodegradation: 0.23 percent

Total sludge adsorption: 61.41 percent

Total to Air: 37.41 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.36 0.514 1000

Water 46.3 900 1000

Soil 29.8 1.8e+003 1000

Sediment 23.5 8.1e+003 0

Persistence Time: 171 hr

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