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CAS Number: 62338-07-2



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) = 4.94

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

Boiling Pt (deg C): 144.58 (Adapted Stein & Brown method)

Melting Pt (deg C): -74.85 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.52 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 869 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.495

log Kow used: 4.94 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 29.281 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 7.02E-001 atm-m3/mole (7.11E+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: 7.934E-001 atm-m3/mole (8.039E+004 Pa-m3/mole)

VP: 6.52 mm Hg (source: MPBPVP)

WS: 1.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.94 (KowWin est)

Log Kaw used: 1.458 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.482

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) : 0.3198

Biowin6 (MITI Non-Linear Model): 0.2744

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1574

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.4397

BioHC Half-Life (days) : 2.7524

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

Vapor pressure (liquid/subcooled): 800 Pa (6 mm Hg)

Log Koa (Koawin est ): 3.482

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

Mackay model : 3.75E-009

Octanol/air (Koa) model: 7.45E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.35E-007

Mackay model : 3E-007

Octanol/air (Koa) model: 5.96E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 193.5118 E-12 cm3/molecule-sec

Half-Life = 0.055 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.663 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 100.000000 E-17 cm3/molecule-sec

Half-Life = 0.011 Days (at 7E11 mol/cm3)

Half-Life = 16.502 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

2.18E-007 (Junge-Pankow, Mackay avg)

5.96E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 965 L/kg (MCI method)

Log Koc: 2.985 (MCI method)

Koc : 1.937E+004 L/kg (Kow method)

Log Koc: 4.287 (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 = 2.926 (BCF = 844 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7366 days (HL = 5.452 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.238 (BCF = 1732)

Log BAF Arnot-Gobas method (upper trophic) = 3.286 (BAF = 1933)

log Kow used: 4.94 (estimated)

Volatilization from Water:

Henry LC: 0.702 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.201 hours

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

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.75 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 46.77 percent

Total to Air: 52.84 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.398 0.228 1000

Water 91.5 360 1000

Soil 5.01 720 1000

Sediment 3.12 3.24e+003 0

Persistence Time: 67.3 hr

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