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CAS Num: 000591-49-1


CHEM : Cyclohexene, 1-methyl-


MOL WT : 96.17

------------------------------ 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) = 3.51

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

Boiling Pt (deg C): 114.74 (Adapted Stein & Brown method)

Melting Pt (deg C): -63.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 40.3 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.38E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -120.4 deg C

BP (exp database): 101.667 deg C

VP (exp database): 3.10E+01 mm Hg (4.13E+003 Pa) at 21 deg C

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

Water Solubility at 25 deg C (mg/L): 35.17

log Kow used: 3.51 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 52 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 101.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.04E-001 atm-m3/mole (1.05E+004 Pa-m3/mole)

Group Method: 7.56E-002 atm-m3/mole (7.66E+003 Pa-m3/mole)

Exper Database: 7.45E-02 atm-m3/mole (7.55E+003 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: 1.450E-001 atm-m3/mole (1.469E+004 Pa-m3/mole)

VP: 40.3 mm Hg (source: MPBPVP)

WS: 35.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.51 (KowWin est)

Log Kaw used: 0.484 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.026

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7018

Biowin2 (Non-Linear Model) : 0.8379

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9866 (weeks )

Biowin4 (Primary Survey Model) : 3.7090 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5115

Biowin6 (MITI Non-Linear Model): 0.6777

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2029

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.7413

BioHC Half-Life (days) : 5.5121

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

Vapor pressure (liquid/subcooled): 4.13E+003 Pa (31 mm Hg)

Log Koa (Koawin est ): 3.026

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

Mackay model : 7.26E-010

Octanol/air (Koa) model: 2.61E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.62E-008

Mackay model : 5.81E-008

Octanol/air (Koa) model: 2.08E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 92.1597 E-12 cm3/molecule-sec

Half-Life = 0.116 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.393 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):

4.21E-008 (Junge-Pankow, Mackay avg)

2.08E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 233.9 L/kg (MCI method)

Log Koc: 2.369 (MCI method)

Koc : 1112 L/kg (Kow method)

Log Koc: 3.046 (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 = 1.982 (BCF = 95.83 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0234 days (HL = 1.055 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.284 (BCF = 192.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.284 (BAF = 192.5)

log Kow used: 3.51 (estimated)

Volatilization from Water:

Henry LC: 0.0745 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.008 hours

Half-Life from Model Lake : 93.23 hours (3.885 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 96.82 percent

Total biodegradation: 0.04 percent

Total sludge adsorption: 7.23 percent

Total to Air: 89.55 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.864 0.518 1000

Water 88.2 360 1000

Soil 10 720 1000

Sediment 0.946 3.24e+003 0

Persistence Time: 69.8 hr

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