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CAS Num: 000591-23-1

SMILES : OC(CCCC1C)C1

CHEM : Cyclohexanol, 3-methyl-

MOL FOR: C7 H14 O1

MOL WT : 114.19

------------------------------ 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) = 2.05

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

Boiling Pt (deg C): 176.83 (Adapted Stein & Brown method)

Melting Pt (deg C): -25.48 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.515 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 68.6 (Mean VP of Antoine & Grain methods)

MP (exp database): -0.5 deg C

BP (exp database): 167 deg C

VP (exp database): 5.74E-01 mm Hg (7.65E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 5990

log Kow used: 2.05 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 16085 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.50E-006 atm-m3/mole (6.59E-001 Pa-m3/mole)

Group Method: 6.29E-006 atm-m3/mole (6.37E-001 Pa-m3/mole)

Exper Database: 3.67E-06 atm-m3/mole (3.72E-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: 1.292E-005 atm-m3/mole (1.309E+000 Pa-m3/mole)

VP: 0.515 mm Hg (source: MPBPVP)

WS: 5.99E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.05 (KowWin est)

Log Kaw used: -3.824 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.874

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8519

Biowin2 (Non-Linear Model) : 0.9245

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1068 (weeks )

Biowin4 (Primary Survey Model) : 3.8124 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6378

Biowin6 (MITI Non-Linear Model): 0.7191

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4881

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): 76.5 Pa (0.574 mm Hg)

Log Koa (Koawin est ): 5.874

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

Mackay model : 3.92E-008

Octanol/air (Koa) model: 1.84E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.42E-006

Mackay model : 3.14E-006

Octanol/air (Koa) model: 1.47E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.1671 E-12 cm3/molecule-sec

Half-Life = 0.558 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.696 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.28E-006 (Junge-Pankow, Mackay avg)

1.47E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 18.05 L/kg (MCI method)

Log Koc: 1.256 (MCI method)

Koc : 44.42 L/kg (Kow method)

Log Koc: 1.648 (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 = 1.023 (BCF = 10.54 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6046 days (HL = 0.2486 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.037 (BCF = 10.88)

Log BAF Arnot-Gobas method (upper trophic) = 1.037 (BAF = 10.88)

log Kow used: 2.05 (estimated)

Volatilization from Water:

Henry LC: 3.67E-006 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 171.6 hours (7.149 days)

Half-Life from Model Lake : 1961 hours (81.72 days)

Removal In Wastewater Treatment:

Total removal: 2.50 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.19 percent

Total to Air: 0.21 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.46 13.4 1000

Water 36.3 360 1000

Soil 62.2 720 1000

Sediment 0.0939 3.24e+003 0

Persistence Time: 390 hr

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