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CAS Number: 1879-07-8



MOL FOR: C10 H18

MOL WT : 138.26

------------------------------ 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) = 4.91

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

Boiling Pt (deg C): 160.45 (Adapted Stein & Brown method)

Melting Pt (deg C): -51.63 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.22 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 430 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.576

log Kow used: 4.91 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.6887 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.66E-001 atm-m3/mole (3.71E+004 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 3.717E-001 atm-m3/mole (3.766E+004 Pa-m3/mole)

VP: 3.22 mm Hg (source: MPBPVP)

WS: 1.58 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.91 (KowWin est)

Log Kaw used: 1.175 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.735

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6817

Biowin2 (Non-Linear Model) : 0.7399

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8936 (weeks )

Biowin4 (Primary Survey Model) : 3.6483 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4178

Biowin6 (MITI Non-Linear Model): 0.3357

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1287

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.6922

BioHC Half-Life (days) : 4.9231

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

Vapor pressure (liquid/subcooled): 393 Pa (2.95 mm Hg)

Log Koa (Koawin est ): 3.735

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

Mackay model : 7.63E-009

Octanol/air (Koa) model: 1.33E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.75E-007

Mackay model : 6.1E-007

Octanol/air (Koa) model: 1.07E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 63.2255 E-12 cm3/molecule-sec

Half-Life = 0.169 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.030 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

4.43E-007 (Junge-Pankow, Mackay avg)

1.07E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1120 L/kg (MCI method)

Log Koc: 3.049 (MCI method)

Koc : 1.824E+004 L/kg (Kow method)

Log Koc: 4.261 (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 = 2.908 (BCF = 810 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7164 days (HL = 5.205 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.219 (BCF = 1654)

Log BAF Arnot-Gobas method (upper trophic) = 3.260 (BAF = 1820)

log Kow used: 4.91 (estimated)

Volatilization from Water:

Henry LC: 0.366 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.202 hours

Half-Life from Model Lake : 111.7 hours (4.654 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.52 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 46.27 percent

Total to Air: 53.10 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.18 3.45 1000

Water 82.7 360 1000

Soil 8.89 720 1000

Sediment 3.21 3.24e+003 0

Persistence Time: 74.4 hr

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