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CAS Number:



MOL FOR: C10 H14

MOL WT : 134.22

------------------------------ 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) = 4.69

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

Boiling Pt (deg C): 164.17 (Adapted Stein & Brown method)

Melting Pt (deg C): -41.20 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.73 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 363 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2.532

log Kow used: 4.69 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 28.146 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 2.31E-001 atm-m3/mole (2.34E+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: 1.904E-001 atm-m3/mole (1.929E+004 Pa-m3/mole)

VP: 2.73 mm Hg (source: MPBPVP)

WS: 2.53 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.69 (KowWin est)

Log Kaw used: 0.975 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.715

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6836

Biowin2 (Non-Linear Model) : 0.7508

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9026 (weeks )

Biowin4 (Primary Survey Model) : 3.6541 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4023

Biowin6 (MITI Non-Linear Model): 0.3068

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1148

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.5578

BioHC Half-Life (days) : 3.6125

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

Vapor pressure (liquid/subcooled): 332 Pa (2.49 mm Hg)

Log Koa (Koawin est ): 3.715

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

Mackay model : 9.04E-009

Octanol/air (Koa) model: 1.27E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.26E-007

Mackay model : 7.23E-007

Octanol/air (Koa) model: 1.02E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 198.4841 E-12 cm3/molecule-sec

Half-Life = 0.054 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.647 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 19.200001 E-17 cm3/molecule-sec

Half-Life = 0.060 Days (at 7E11 mol/cm3)

Half-Life = 1.432 Hrs

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

5.25E-007 (Junge-Pankow, Mackay avg)

1.02E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1142 L/kg (MCI method)

Log Koc: 3.058 (MCI method)

Koc : 1.175E+004 L/kg (Kow method)

Log Koc: 4.070 (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 = 2.762 (BCF = 578.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6038 days (HL = 4.016 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.090 (BCF = 1232)

Log BAF Arnot-Gobas method (upper trophic) = 3.107 (BAF = 1278)

log Kow used: 4.69 (estimated)

Volatilization from Water:

Henry LC: 0.231 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.185 hours

Half-Life from Model Lake : 110.1 hours (4.586 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.22 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 40.15 percent

Total to Air: 58.94 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.05 0.68 1000

Water 82.1 360 1000

Soil 13.6 720 1000

Sediment 3.25 3.24e+003 0

Persistence Time: 74.9 hr

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