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CAS Number: 181258-87-7


CHEM : (Z)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane

MOL FOR: C13 H26 O1

MOL WT : 198.35

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 5.10

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

Boiling Pt (deg C): 228.54 (Adapted Stein & Brown method)

Melting Pt (deg C): 5.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.13 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 17.3 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.973

log Kow used: 5.10 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 31.944 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 8.58E-003 atm-m3/mole (8.69E+002 Pa-m3/mole)

Group Method: 5.60E-003 atm-m3/mole (5.68E+002 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: 1.720E-002 atm-m3/mole (1.742E+003 Pa-m3/mole)

VP: 0.13 mm Hg (source: MPBPVP)

WS: 1.97 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.10 (KowWin est)

Log Kaw used: -0.455 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.555

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1218

Biowin2 (Non-Linear Model) : 0.0070

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5400 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3984 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3954

Biowin6 (MITI Non-Linear Model): 0.2167

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4229

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 16.3 Pa (0.122 mm Hg)

Log Koa (Koawin est ): 5.555

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

Mackay model : 1.84E-007

Octanol/air (Koa) model: 8.81E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.66E-006

Mackay model : 1.48E-005

Octanol/air (Koa) model: 7.05E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 34.9900 E-12 cm3/molecule-sec

Half-Life = 0.306 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.668 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.07E-005 (Junge-Pankow, Mackay avg)

7.05E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1471 L/kg (MCI method)

Log Koc: 3.168 (MCI method)

Koc : 4523 L/kg (Kow method)

Log Koc: 3.655 (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 = 3.031 (BCF = 1074 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6386 days (HL = 4.352 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.181 (BCF = 1516)

Log BAF Arnot-Gobas method (upper trophic) = 3.227 (BAF = 1685)

log Kow used: 5.10 (estimated)

Volatilization from Water:

Henry LC: 0.0056 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.584 hours

Half-Life from Model Lake : 135.4 hours (5.641 days)

Removal In Wastewater Treatment:

Total removal: 87.92 percent

Total biodegradation: 0.49 percent

Total sludge adsorption: 68.58 percent

Total to Air: 18.84 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.68 7.34 1000

Water 19.4 900 1000

Soil 77.3 1.8e+003 1000

Sediment 1.59 8.1e+003 0

Persistence Time: 417 hr

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