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CAS Number: 6902-73-4



MOL FOR: C12 H18

MOL WT : 162.28

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 5.51

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

Boiling Pt (deg C): 192.47 (Adapted Stein & Brown method)

Melting Pt (deg C): -19.56 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.739 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 98.5 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.3853

log Kow used: 5.51 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.2976 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.22E-001 atm-m3/mole (4.28E+004 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 4.095E-001 atm-m3/mole (4.150E+004 Pa-m3/mole)

VP: 0.739 mm Hg (source: MPBPVP)

WS: 0.385 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.51 (KowWin est)

Log Kaw used: 1.237 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.273

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4864

Biowin2 (Non-Linear Model) : 0.2653

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6284 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4602 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3930

Biowin6 (MITI Non-Linear Model): 0.2354

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3725

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.1288

BioHC Half-Life (days) : 13.4525

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

Vapor pressure (liquid/subcooled): 90.3 Pa (0.677 mm Hg)

Log Koa (Koawin est ): 4.273

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

Mackay model : 3.32E-008

Octanol/air (Koa) model: 4.6E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.2E-006

Mackay model : 2.66E-006

Octanol/air (Koa) model: 3.68E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 139.3513 E-12 cm3/molecule-sec

Half-Life = 0.077 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.921 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 21.375000 E-17 cm3/molecule-sec

Half-Life = 0.054 Days (at 7E11 mol/cm3)

Half-Life = 1.287 Hrs

Fraction sorbed to airborne particulates (phi):

1.93E-006 (Junge-Pankow, Mackay avg)

3.68E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3301 L/kg (MCI method)

Log Koc: 3.519 (MCI method)

Koc : 6.05E+004 L/kg (Kow method)

Log Koc: 4.782 (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 v3.01):

Log BCF from regression-based method = 3.300 (BCF = 1995 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8278 days (HL = 6.727 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.361 (BCF = 2299)

Log BAF Arnot-Gobas method (upper trophic) = 3.570 (BAF = 3718)

log Kow used: 5.51 (estimated)

Volatilization from Water:

Henry LC: 0.422 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.302 hours

Half-Life from Model Lake : 121 hours (5.042 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.47 percent

Total biodegradation: 0.19 percent

Total sludge adsorption: 57.03 percent

Total to Air: 42.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.838 0.758 1000

Water 71.5 900 1000

Soil 14.3 1.8e+003 1000

Sediment 13.3 8.1e+003 0

Persistence Time: 110 hr

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