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CAS Number: 13491-79-7


CHEM : Cyclohexanol, 2-(1,1-dimethylethyl)-

MOL FOR: C10 H20 O1

MOL WT : 156.27

------------------------------ 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) = 3.42

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

Boiling Pt (deg C): 216.91 (Adapted Stein & Brown method)

Melting Pt (deg C): 4.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0158 (Modified Grain method)

VP (Pa, 25 deg C) : 2.1 (Modified Grain method)

MP (exp database): 45 deg C

Subcooled liquid VP: 0.024 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 278

log Kow used: 3.42 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1326.7 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.52E-005 atm-m3/mole (1.54E+000 Pa-m3/mole)

Group Method: 2.13E-005 atm-m3/mole (2.16E+000 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: 1.169E-005 atm-m3/mole (1.184E+000 Pa-m3/mole)

VP: 0.0158 mm Hg (source: MPBPVP)

WS: 278 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.42 (KowWin est)

Log Kaw used: -3.207 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.627

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6479

Biowin2 (Non-Linear Model) : 0.5459

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8017 (weeks )

Biowin4 (Primary Survey Model) : 3.5983 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5810

Biowin6 (MITI Non-Linear Model): 0.5406

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0053

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 3.2 Pa (0.024 mm Hg)

Log Koa (Koawin est ): 6.627

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

Mackay model : 9.37E-007

Octanol/air (Koa) model: 1.04E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.39E-005

Mackay model : 7.5E-005

Octanol/air (Koa) model: 8.32E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 20.1767 E-12 cm3/molecule-sec

Half-Life = 0.530 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.361 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.44E-005 (Junge-Pankow, Mackay avg)

8.32E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 78.82 L/kg (MCI method)

Log Koc: 1.897 (MCI method)

Koc : 254.3 L/kg (Kow method)

Log Koc: 2.405 (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 = 1.922 (BCF = 83.48 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1020 days (HL = 0.7906 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.178 (BCF = 150.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.178 (BAF = 150.6)

log Kow used: 3.42 (estimated)

Volatilization from Water:

Henry LC: 2.13E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 35.64 hours (1.485 days)

Half-Life from Model Lake : 493.6 hours (20.57 days)

Removal In Wastewater Treatment:

Total removal: 12.32 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 11.10 percent

Total to Air: 1.05 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.38 12.7 1000

Water 28.3 360 1000

Soil 70.2 720 1000

Sediment 0.142 3.24e+003 0

Persistence Time: 418 hr

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