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CAS Num: 000489-84-9


CHEM : Azulene, 1,4-dimethyl-7-(1-methylethyl)-

MOL FOR: C15 H18

MOL WT : 198.31

------------------------------ 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) = 5.93

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

Boiling Pt (deg C): 275.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 57.31 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0106 (Modified Grain method)

VP (Pa, 25 deg C) : 1.42 (Modified Grain method)

MP (exp database): 31.5 deg C

BP (exp database): 153 @ 7 mm Hg deg C

Subcooled liquid VP: 0.0122 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.1115

log Kow used: 5.93 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.664 mg/L (25 deg C)

Exper. Ref: REZA, J ET AL. (2002)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.2216 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.67E-001 atm-m3/mole (2.70E+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: 2.481E-002 atm-m3/mole (2.513E+003 Pa-m3/mole)

VP: 0.0106 mm Hg (source: MPBPVP)

WS: 0.112 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.93 (KowWin est)

Log Kaw used: 1.038 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.892

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6531

Biowin2 (Non-Linear Model) : 0.5480

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7609 (weeks )

Biowin4 (Primary Survey Model) : 3.5616 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1041

Biowin6 (MITI Non-Linear Model): 0.0440

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0157

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.9417

BioHC Half-Life (days) : 8.7442

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

Vapor pressure (liquid/subcooled): 1.63 Pa (0.0122 mm Hg)

Log Koa (Koawin est ): 4.892

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

Mackay model : 1.84E-006

Octanol/air (Koa) model: 1.91E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.66E-005

Mackay model : 0.000148

Octanol/air (Koa) model: 1.53E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 343.0970 E-12 cm3/molecule-sec

Half-Life = 0.031 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 22.446 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 11.667500 E-17 cm3/molecule-sec

Half-Life = 0.098 Days (at 7E11 mol/cm3)

Half-Life = 2.357 Hrs

Fraction sorbed to airborne particulates (phi):

0.000107 (Junge-Pankow, Mackay avg)

1.53E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.981E+004 L/kg (MCI method)

Log Koc: 4.297 (MCI method)

Koc : 1.4E+005 L/kg (Kow method)

Log Koc: 5.146 (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 = 3.581 (BCF = 3807 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7085 days (HL = 51.1 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.988 (BCF = 9719)

Log BAF Arnot-Gobas method (upper trophic) = 5.456 (BAF = 2.86e+005)

log Kow used: 5.93 (estimated)

Volatilization from Water:

Henry LC: 0.267 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.44 hours

Half-Life from Model Lake : 133.8 hours (5.575 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.74 percent

Total biodegradation: 0.26 percent

Total sludge adsorption: 63.23 percent

Total to Air: 35.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.29 0.568 1000

Water 31 360 1000

Soil 51.5 720 1000

Sediment 17.2 3.24e+003 0

Persistence Time: 200 hr

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