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CAS Num: 060241-53-4


CHEM : Cyclohexanepropanol, a, ,2,2,6-pentamethyl-

MOL FOR: C14 H28 O1

MOL WT : 212.38

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

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 5.23

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

Boiling Pt (deg C): 269.83 (Adapted Stein & Brown method)

Melting Pt (deg C): 35.95 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000731 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0974 (Modified Grain method)

Subcooled liquid VP: 0.000917 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 4.137

log Kow used: 5.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 22.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.72E-005 atm-m3/mole (4.79E+000 Pa-m3/mole)

Group Method: 1.23E-004 atm-m3/mole (1.24E+001 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: 4.938E-005 atm-m3/mole (5.003E+000 Pa-m3/mole)

VP: 0.000731 mm Hg (source: MPBPVP)

WS: 4.14 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.23 (KowWin est)

Log Kaw used: -2.715 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.945

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6212

Biowin2 (Non-Linear Model) : 0.3515

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6777 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5173 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3433

Biowin6 (MITI Non-Linear Model): 0.1939

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3501

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): 0.122 Pa (0.000917 mm Hg)

Log Koa (Koawin est ): 7.945

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

Mackay model : 2.45E-005

Octanol/air (Koa) model: 2.16E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000885

Mackay model : 0.00196

Octanol/air (Koa) model: 0.00173

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 24.4604 E-12 cm3/molecule-sec

Half-Life = 0.437 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.247 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00142 (Junge-Pankow, Mackay avg)

0.00173 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 706.6 L/kg (MCI method)

Log Koc: 2.849 (MCI method)

Koc : 2550 L/kg (Kow method)

Log Koc: 3.407 (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 = 3.121 (BCF = 1320 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3483 days (HL = 2.23 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.930 (BCF = 851.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.949 (BAF = 888.7)

log Kow used: 5.23 (estimated)

Volatilization from Water:

Henry LC: 0.000123 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 8.424 hours

Half-Life from Model Lake : 214.1 hours (8.921 days)

Removal In Wastewater Treatment:

Total removal: 83.99 percent

Total biodegradation: 0.71 percent

Total sludge adsorption: 82.61 percent

Total to Air: 0.68 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.668 10.5 1000

Water 14.5 900 1000

Soil 84.3 1.8e+003 1000

Sediment 0.561 8.1e+003 0

Persistence Time: 918 hr

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