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CAS Number: 18368-95-1


CHEM : 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene

MOL FOR: C10 H14

MOL WT : 134.22

------------------------------ 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) = 4.74

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

Boiling Pt (deg C): 174.76 (Adapted Stein & Brown method)

Melting Pt (deg C): -29.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.68 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 224 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2.29

log Kow used: 4.74 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 59.012 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.62E-001 atm-m3/mole (2.65E+004 Pa-m3/mole)

Group Method: 5.60E-003 atm-m3/mole (5.68E+002 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: 1.296E-001 atm-m3/mole (1.313E+004 Pa-m3/mole)

VP: 1.68 mm Hg (source: MPBPVP)

WS: 2.29 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.74 (KowWin est)

Log Kaw used: 1.030 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.710

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6836

Biowin2 (Non-Linear Model) : 0.7508

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9026 (weeks )

Biowin4 (Primary Survey Model) : 3.6541 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3779

Biowin6 (MITI Non-Linear Model): 0.3267

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1428

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.4470

BioHC Half-Life (days) : 2.7989

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

Vapor pressure (liquid/subcooled): 205 Pa (1.54 mm Hg)

Log Koa (Koawin est ): 3.710

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

Mackay model : 1.46E-008

Octanol/air (Koa) model: 1.26E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.28E-007

Mackay model : 1.17E-006

Octanol/air (Koa) model: 1.01E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 267.2596 E-12 cm3/molecule-sec

Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 28.815 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 223.583740 E-17 cm3/molecule-sec

Half-Life = 0.005 Days (at 7E11 mol/cm3)

Half-Life = 7.381 Min

Fraction sorbed to airborne particulates (phi):

8.48E-007 (Junge-Pankow, Mackay avg)

1.01E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1120 L/kg (MCI method)

Log Koc: 3.049 (MCI method)

Koc : 1.299E+004 L/kg (Kow method)

Log Koc: 4.113 (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 = 2.796 (BCF = 625 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6543 days (HL = 4.511 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.139 (BCF = 1376)

Log BAF Arnot-Gobas method (upper trophic) = 3.161 (BAF = 1448)

log Kow used: 4.74 (estimated)

Volatilization from Water:

Henry LC: 0.0056 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.303 hours

Half-Life from Model Lake : 111.4 hours (4.64 days)

Removal In Wastewater Treatment:

Total removal: 83.98 percent

Total biodegradation: 0.37 percent

Total sludge adsorption: 53.99 percent

Total to Air: 29.62 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0402 0.109 1000

Water 25.2 360 1000

Soil 73.7 720 1000

Sediment 0.982 3.24e+003 0

Persistence Time: 249 hr

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