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CAS Number: 134-32-7

SMILES : c(c(c(N)cc1)ccc2)(c2)c1

CHEM : 1-Naphthalenamine

MOL FOR: C10 H9 N1

MOL WT : 143.19

------------------------------ 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) = 2.25

Log Kow (Exper. database match) = 2.25

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

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

Boiling Pt (deg C): 293.14 (Adapted Stein & Brown method)

Melting Pt (deg C): 70.85 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00112 (Modified Grain method)

VP (Pa, 25 deg C) : 0.15 (Modified Grain method)

MP (exp database): 49.2 deg C

BP (exp database): 300.8 deg C

VP (exp database): 4.18E-03 mm Hg (5.57E-001 Pa) at 25 deg C

Subcooled liquid VP: 0.00725 mm Hg (25 deg C, exp database VP )

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

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

Water Solubility at 25 deg C (mg/L): 972.7

log Kow used: 2.25 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1700 mg/L (20 deg C)

Exper. Ref: DRAGUN,J & HELLING,CS (1985)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 511.81 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Anilines (Unhindered)

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

Bond Method : 1.86E-007 atm-m3/mole (1.88E-002 Pa-m3/mole)

Group Method: 1.51E-007 atm-m3/mole (1.53E-002 Pa-m3/mole)

Exper Database: 1.11E-07 atm-m3/mole (1.12E-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: 2.169E-007 atm-m3/mole (2.198E-002 Pa-m3/mole)

VP: 0.00112 mm Hg (source: MPBPVP)

WS: 973 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.25 (exp database)

Log Kaw used: -5.343 (exp database)

Log Koa (KOAWIN v1.10 estimate): 7.593

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4456

Biowin2 (Non-Linear Model) : 0.2826

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7478 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5328 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1860

Biowin6 (MITI Non-Linear Model): 0.1199

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1097

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 0.967 Pa (0.00725 mm Hg)

Log Koa (Koawin est ): 7.593

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

Mackay model : 3.1E-006

Octanol/air (Koa) model: 9.62E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000112

Mackay model : 0.000248

Octanol/air (Koa) model: 0.000769

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 200.0000 E-12 cm3/molecule-sec

Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.642 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00018 (Junge-Pankow, Mackay avg)

0.000769 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2528 L/kg (MCI method)

Log Koc: 3.403 (MCI method)

Koc : 89.61 L/kg (Kow method)

Log Koc: 1.952 (Kow method)

Experimental Log Koc: 3.51 (database)

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 = 1.152 (BCF = 14.18 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3608 days (HL = 0.4357 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.251 (BCF = 17.84)

Log BAF Arnot-Gobas method (upper trophic) = 1.251 (BAF = 17.84)

log Kow used: 2.25 (expkow database)

Volatilization from Water:

Henry LC: 1.11E-007 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 6313 hours (263 days)

Half-Life from Model Lake : 6.897E+004 hours (2874 days)

Removal In Wastewater Treatment:

Total removal: 2.56 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.46 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0527 1.28 1000

Water 17.2 900 1000

Soil 80.3 1.8e+003 1000

Sediment 2.47 8.1e+003 0

Persistence Time: 1.1e+003 hr

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