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CAS Number: 38618-23-4


CHEM : 2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}ethanol

MOL FOR: C12 H24 O2

MOL WT : 200.32

------------------------------ 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) = 3.11

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

Boiling Pt (deg C): 277.82 (Adapted Stein & Brown method)

Melting Pt (deg C): 33.67 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000463 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0618 (Modified Grain method)

Subcooled liquid VP: 0.000554 mm Hg (25 deg C, Mod-Grain method)

: 0.0739 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 313.4

log Kow used: 3.11 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1915.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.36E-007 atm-m3/mole (2.39E-002 Pa-m3/mole)

Group Method: 5.48E-008 atm-m3/mole (5.55E-003 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: 3.894E-007 atm-m3/mole (3.946E-002 Pa-m3/mole)

VP: 0.000463 mm Hg (source: MPBPVP)

WS: 313 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.11 (KowWin est)

Log Kaw used: -5.016 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.126

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4635

Biowin2 (Non-Linear Model) : 0.1046

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9078 (weeks )

Biowin4 (Primary Survey Model) : 3.6784 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4247

Biowin6 (MITI Non-Linear Model): 0.2276

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1173

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): 0.0739 Pa (0.000554 mm Hg)

Log Koa (Koawin est ): 8.126

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

Mackay model : 4.06E-005

Octanol/air (Koa) model: 3.28E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00146

Mackay model : 0.00324

Octanol/air (Koa) model: 0.00262

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 42.7446 E-12 cm3/molecule-sec

Half-Life = 0.250 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.003 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00235 (Junge-Pankow, Mackay avg)

0.00262 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 75.06 L/kg (MCI method)

Log Koc: 1.875 (MCI method)

Koc : 139.1 L/kg (Kow method)

Log Koc: 2.143 (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 = 1.717 (BCF = 52.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2617 days (HL = 0.5474 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.927 (BCF = 84.6)

Log BAF Arnot-Gobas method (upper trophic) = 1.927 (BAF = 84.6)

log Kow used: 3.11 (estimated)

Volatilization from Water:

Henry LC: 5.48E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.512E+004 hours (630.1 days)

Half-Life from Model Lake : 1.651E+005 hours (6879 days)

Removal In Wastewater Treatment:

Total removal: 6.74 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 6.61 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.38 6 1000

Water 25.7 360 1000

Soil 73.8 720 1000

Sediment 0.126 3.24e+003 0

Persistence Time: 516 hr

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