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CAS Number: 581-40-8

SMILES : Cc2cc1ccccc1cc2C

CHEM : 2,3-Dimethylnaphthalene

MOL FOR: C12 H12

MOL WT : 156.23

------------------------------ 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) = 4.26

Log Kow (Exper. database match) = 4.40

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 266.66 (Adapted Stein & Brown method)

Melting Pt (deg C): 39.02 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00173 (Modified Grain method)

VP (Pa, 25 deg C) : 0.231 (Modified Grain method)

MP (exp database): 105 deg C

BP (exp database): 268 deg C

VP (exp database): 1.10E-03 mm Hg (1.47E-001 Pa) at 25 deg C

Subcooled liquid VP: 0.0068 mm Hg (25 deg C, exp database VP )

: 0.907 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 12.44

log Kow used: 4.40 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1.99 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.2212 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.41E-004 atm-m3/mole (6.49E+001 Pa-m3/mole)

Group Method: 4.25E-004 atm-m3/mole (4.31E+001 Pa-m3/mole)

Exper Database: 9.20E-04 atm-m3/mole (9.32E+001 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: 2.859E-005 atm-m3/mole (2.897E+000 Pa-m3/mole)

VP: 0.00173 mm Hg (source: MPBPVP)

WS: 12.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.40 (exp database)

Log Kaw used: -1.425 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.825

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7825

Biowin2 (Non-Linear Model) : 0.8748

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7042 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4853 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3796

Biowin6 (MITI Non-Linear Model): 0.3432

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4800

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.1526

BioHC Half-Life (days) : 14.2117

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

Vapor pressure (liquid/subcooled): 0.907 Pa (0.0068 mm Hg)

Log Koa (Koawin est ): 5.825

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

Mackay model : 3.31E-006

Octanol/air (Koa) model: 1.64E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00012

Mackay model : 0.000265

Octanol/air (Koa) model: 1.31E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 69.3968 E-12 cm3/molecule-sec

Half-Life = 0.154 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.850 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000192 (Junge-Pankow, Mackay avg)

1.31E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4056 L/kg (MCI method)

Log Koc: 3.608 (MCI method)

Koc : 6582 L/kg (Kow method)

Log Koc: 3.818 (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 = 2.570 (BCF = 371.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.4710 days (HL = 2.958 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.586 (BCF = 385.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.587 (BAF = 386)

log Kow used: 4.40 (expkow database)

Volatilization from Water:

Henry LC: 0.00092 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.071 hours

Half-Life from Model Lake : 127.4 hours (5.308 days)

Removal In Wastewater Treatment:

Total removal: 60.60 percent

Total biodegradation: 0.40 percent

Total sludge adsorption: 46.01 percent

Total to Air: 14.18 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.277 3.34 1000

Water 9.99 900 1000

Soil 87.4 1.8e+003 1000

Sediment 2.33 8.1e+003 0

Persistence Time: 894 hr

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