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CAS Num: 000108-93-0

SMILES : OC(CCCC1)C1

CHEM : Cyclohexanol

MOL FOR: C6 H12 O1

MOL WT : 100.16

------------------------------ 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) = 1.64

Log Kow (Exper. database match) = 1.23

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 161.73 (Adapted Stein & Brown method)

Melting Pt (deg C): -33.40 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.65 (Modified Grain method)

VP (Pa, 25 deg C) : 86.6 (Modified Grain method)

MP (exp database): 25.4 deg C

BP (exp database): 160.8 deg C

VP (exp database): 8.00E-01 mm Hg (1.07E+002 Pa) at 25 deg C

Subcooled liquid VP: 0.807 mm Hg (25 deg C, exp database VP )

: 108 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 3.366e+004

log Kow used: 1.23 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 4.2e+004 mg/L (10 deg C)

Exper. Ref: FISHER,WB & VANPEPPEN,JF (1978)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 46608 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.90E-006 atm-m3/mole (4.96E-001 Pa-m3/mole)

Group Method: 3.70E-006 atm-m3/mole (3.75E-001 Pa-m3/mole)

Exper Database: 4.40E-06 atm-m3/mole (4.46E-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: 2.545E-006 atm-m3/mole (2.579E-001 Pa-m3/mole)

VP: 0.65 mm Hg (source: MPBPVP)

WS: 3.37E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.23 (exp database)

Log Kaw used: -3.745 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.975

Log Koa (experimental database): 5.180

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8586

Biowin2 (Non-Linear Model) : 0.9373

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1378 (weeks )

Biowin4 (Primary Survey Model) : 3.8327 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6864

Biowin6 (MITI Non-Linear Model): 0.8444

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4082

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): 108 Pa (0.807 mm Hg)

Log Koa (Exp database): 5.180

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

Mackay model : 2.79E-008

Octanol/air (Koa) model: 3.72E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.01E-006

Mackay model : 2.23E-006

Octanol/air (Koa) model: 2.97E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 17.4778 E-12 cm3/molecule-sec

Half-Life = 0.612 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.344 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.62E-006 (Junge-Pankow, Mackay avg)

2.97E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 11.25 L/kg (MCI method)

Log Koc: 1.051 (MCI method)

Koc : 15.63 L/kg (Kow method)

Log Koc: 1.194 (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 = 0.479 (BCF = 3.01 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9836 days (HL = 0.1039 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.364 (BCF = 2.31)

Log BAF Arnot-Gobas method (upper trophic) = 0.364 (BAF = 2.31)

log Kow used: 1.23 (expkow database)

Volatilization from Water:

Henry LC: 4.4E-006 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 134.2 hours (5.591 days)

Half-Life from Model Lake : 1548 hours (64.49 days)

Removal In Wastewater Treatment:

Total removal: 2.16 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.82 percent

Total to Air: 0.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.68 14.7 1000

Water 39 360 1000

Soil 59.2 720 1000

Sediment 0.0899 3.24e+003 0

Persistence Time: 375 hr

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