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CAS Number: 18454-88-1



MOL FOR: C14 H18

MOL WT : 186.30

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 6.07

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

Boiling Pt (deg C): 267.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 56.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0096 (Modified Grain method)

VP (Pa, 25 deg C) : 1.28 (Modified Grain method)

Subcooled liquid VP: 0.0187 mm Hg (25 deg C, Mod-Grain method)

: 2.49 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.09737

log Kow used: 6.07 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.7549 mg/L

ECOSAR Class Program (ECOSAR v1.11):

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: 2.417E-002 atm-m3/mole (2.449E+003 Pa-m3/mole)

VP: 0.0096 mm Hg (source: MPBPVP)

WS: 0.0974 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.07 (KowWin est)

Log Kaw used: 1.237 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.833

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6589

Biowin2 (Non-Linear Model) : 0.5898

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7875 (weeks )

Biowin4 (Primary Survey Model) : 3.5790 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2666

Biowin6 (MITI Non-Linear Model): 0.1411

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1628

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.0048

BioHC Half-Life (days) : 10.1119

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

Vapor pressure (liquid/subcooled): 2.49 Pa (0.0187 mm Hg)

Log Koa (Koawin est ): 4.833

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

Mackay model : 1.2E-006

Octanol/air (Koa) model: 1.67E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.35E-005

Mackay model : 9.62E-005

Octanol/air (Koa) model: 1.34E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 325.6607 E-12 cm3/molecule-sec

Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 23.648 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 237.233749 E-17 cm3/molecule-sec

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

Half-Life = 6.956 Min

Fraction sorbed to airborne particulates (phi):

6.99E-005 (Junge-Pankow, Mackay avg)

1.34E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.267E+004 L/kg (MCI method)

Log Koc: 4.103 (MCI method)

Koc : 1.852E+005 L/kg (Kow method)

Log Koc: 5.268 (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 = 3.673 (BCF = 4705 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7473 days (HL = 55.88 days)

Log BCF Arnot-Gobas method (upper trophic) = 4.000 (BCF = 9998)

Log BAF Arnot-Gobas method (upper trophic) = 5.636 (BAF = 4.329e+005)

log Kow used: 6.07 (estimated)

Volatilization from Water:

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

Half-Life from Model River: 1.395 hours

Half-Life from Model Lake : 129.7 hours (5.403 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.98 percent

Total biodegradation: 0.25 percent

Total sludge adsorption: 63.10 percent

Total to Air: 35.62 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0818 0.101 1000

Water 46.1 360 1000

Soil 37.5 720 1000

Sediment 16.3 3.24e+003 0

Persistence Time: 136 hr

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