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CAS Num: 068555-95-3


CHEM : Cyclohexene, trimethyl-


MOL WT : 124.23

------------------------------ 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) = 4.38

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

Boiling Pt (deg C): 141.86 (Adapted Stein & Brown method)

Melting Pt (deg C): -34.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.34 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 979 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 5.119

log Kow used: 4.38 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 16.909 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.83E-001 atm-m3/mole (1.85E+004 Pa-m3/mole)

Group Method: 1.81E-001 atm-m3/mole (1.84E+004 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: 2.344E-001 atm-m3/mole (2.375E+004 Pa-m3/mole)

VP: 7.34 mm Hg (source: MPBPVP)

WS: 5.12 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.38 (KowWin est)

Log Kaw used: 0.874 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.506

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5045

Biowin2 (Non-Linear Model) : 0.3826

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7125 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5151 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4768

Biowin6 (MITI Non-Linear Model): 0.5336

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1704

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.1333

BioHC Half-Life (days) : 13.5926

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

Vapor pressure (liquid/subcooled): 903 Pa (6.77 mm Hg)

Log Koa (Koawin est ): 3.506

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

Mackay model : 3.32E-009

Octanol/air (Koa) model: 7.87E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.2E-007

Mackay model : 2.66E-007

Octanol/air (Koa) model: 6.3E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 91.0813 E-12 cm3/molecule-sec

Half-Life = 0.117 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.409 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1.93E-007 (Junge-Pankow, Mackay avg)

6.3E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 546.5 L/kg (MCI method)

Log Koc: 2.738 (MCI method)

Koc : 6324 L/kg (Kow method)

Log Koc: 3.801 (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 = 2.556 (BCF = 360 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3147 days (HL = 2.064 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.806 (BCF = 639.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.808 (BAF = 642.8)

log Kow used: 4.38 (estimated)

Volatilization from Water:

Henry LC: 0.183 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.141 hours

Half-Life from Model Lake : 105.9 hours (4.413 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.93 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 29.70 percent

Total to Air: 69.13 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.73 0.521 1000

Water 89.1 900 1000

Soil 7.53 1.8e+003 1000

Sediment 2.68 8.1e+003 0

Persistence Time: 87.8 hr

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