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CAS Num: 000111-26-2


CHEM : 1-Hexanamine

MOL FOR: C6 H15 N1

MOL WT : 101.19

------------------------------ 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) = 1.82

Log Kow (Exper. database match) = 2.06

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

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

Boiling Pt (deg C): 134.84 (Adapted Stein & Brown method)

Melting Pt (deg C): -33.72 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.82 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.18E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -22.9 deg C

BP (exp database): 132.8 deg C

VP (exp database): 8.99E+00 mm Hg (1.20E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 2.057e+004

log Kow used: 2.06 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1.2e+004 mg/L (25 deg C)

Exper. Ref: EPA

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 16353 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 3.12E-005 atm-m3/mole (3.17E+000 Pa-m3/mole)

Group Method: 3.46E-005 atm-m3/mole (3.50E+000 Pa-m3/mole)

Exper Database: 2.68E-05 atm-m3/mole (2.72E+000 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: 5.709E-005 atm-m3/mole (5.785E+000 Pa-m3/mole)

VP: 8.82 mm Hg (source: MPBPVP)

WS: 2.06E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.06 (exp database)

Log Kaw used: -2.960 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.020

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9616

Biowin2 (Non-Linear Model) : 0.9893

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2983 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0141 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6919

Biowin6 (MITI Non-Linear Model): 0.8156

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7460

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 1.2E+003 Pa (8.99 mm Hg)

Log Koa (Koawin est ): 5.020

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

Mackay model : 2.5E-009

Octanol/air (Koa) model: 2.57E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.04E-008

Mackay model : 2E-007

Octanol/air (Koa) model: 2.06E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.2393 E-12 cm3/molecule-sec

Half-Life = 0.287 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.447 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.45E-007 (Junge-Pankow, Mackay avg)

2.06E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 146.9 L/kg (MCI method)

Log Koc: 2.167 (MCI method)

Koc : 110.3 L/kg (Kow method)

Log Koc: 2.043 (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 = 1.026 (BCF = 10.62 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3565 days (HL = 0.44 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.073 (BCF = 11.83)

Log BAF Arnot-Gobas method (upper trophic) = 1.073 (BAF = 11.83)

log Kow used: 2.06 (expkow database)

Volatilization from Water:

Henry LC: 2.68E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 23 hours

Half-Life from Model Lake : 335.3 hours (13.97 days)

Removal In Wastewater Treatment:

Total removal: 3.72 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.18 percent

Total to Air: 1.45 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.21 6.89 1000

Water 28.3 208 1000

Soil 70.3 416 1000

Sediment 0.18 1.87e+003 0

Persistence Time: 268 hr

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