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CAS Num: 000589-43-5

SMILES : CC(C)CC(C)CC

CHEM : 2,4-Dimethylhexane

MOL FOR: C8 H18

MOL WT : 114.23

------------------------------ 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) = 4.12

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

Boiling Pt (deg C): 91.17 (Adapted Stein & Brown method)

Melting Pt (deg C): -91.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 29.2 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.89E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): < 25 deg C

BP (exp database): 109.5 deg C

VP (exp database): 3.04E+01 mm Hg (4.05E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 9.204

log Kow used: 4.12 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.4522 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.01E+000 atm-m3/mole (3.05E+005 Pa-m3/mole)

Group Method: 4.88E+000 atm-m3/mole (4.95E+005 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: 4.768E-001 atm-m3/mole (4.832E+004 Pa-m3/mole)

VP: 29.2 mm Hg (source: MPBPVP)

WS: 9.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.12 (KowWin est)

Log Kaw used: 2.090 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.030

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6932

Biowin2 (Non-Linear Model) : 0.8000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9467 (weeks )

Biowin4 (Primary Survey Model) : 3.6829 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3714

Biowin6 (MITI Non-Linear Model): 0.4913

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2381

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.8170

BioHC Half-Life (days) : 6.5616

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

Vapor pressure (liquid/subcooled): 4.05E+003 Pa (30.4 mm Hg)

Log Koa (Koawin est ): 2.030

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

Mackay model : 7.4E-010

Octanol/air (Koa) model: 2.63E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.67E-008

Mackay model : 5.92E-008

Octanol/air (Koa) model: 2.1E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.5522 E-12 cm3/molecule-sec

Half-Life = 1.251 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 15.008 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.3E-008 (Junge-Pankow, Mackay avg)

2.1E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 323.4 L/kg (MCI method)

Log Koc: 2.510 (MCI method)

Koc : 3761 L/kg (Kow method)

Log Koc: 3.575 (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 = 2.387 (BCF = 244.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0836 days (HL = 1.212 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.572 (BCF = 373.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.573 (BAF = 373.8)

log Kow used: 4.12 (estimated)

Volatilization from Water:

Henry LC: 3.01 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.091 hours

Half-Life from Model Lake : 101.5 hours (4.23 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.93 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 20.70 percent

Total to Air: 79.16 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 28.2 30 1000

Water 69.9 360 1000

Soil 1.01 720 1000

Sediment 0.965 3.24e+003 0

Persistence Time: 87.9 hr

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