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CAS Num: 000110-58-7


CHEM : 1-Pentanamine

MOL FOR: C5 H13 N1

MOL WT : 87.17

------------------------------ 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) = 1.33

Log Kow (Exper. database match) = 1.49

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

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

Boiling Pt (deg C): 111.71 (Adapted Stein & Brown method)

Melting Pt (deg C): -46.11 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 31.1 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.15E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -55 deg C

BP (exp database): 104.3 deg C

VP (exp database): 3.00E+01 mm Hg (4.00E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 6.876e+004

log Kow used: 1.49 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C)

Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 48509 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 2.35E-005 atm-m3/mole (2.38E+000 Pa-m3/mole)

Group Method: 2.45E-005 atm-m3/mole (2.48E+000 Pa-m3/mole)

Exper Database: 2.43E-05 atm-m3/mole (2.46E+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: 5.188E-005 atm-m3/mole (5.256E+000 Pa-m3/mole)

VP: 31.1 mm Hg (source: MPBPVP)

WS: 6.88E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.49 (exp database)

Log Kaw used: -3.003 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.493

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9683

Biowin2 (Non-Linear Model) : 0.9912

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3293 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0343 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6842

Biowin6 (MITI Non-Linear Model): 0.8119

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7200

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): 4E+003 Pa (30 mm Hg)

Log Koa (Koawin est ): 4.493

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

Mackay model : 7.5E-010

Octanol/air (Koa) model: 7.64E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.71E-008

Mackay model : 6E-008

Octanol/air (Koa) model: 6.11E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.8262 E-12 cm3/molecule-sec

Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.583 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.35E-008 (Junge-Pankow, Mackay avg)

6.11E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 80.58 L/kg (MCI method)

Log Koc: 1.906 (MCI method)

Koc : 53.39 L/kg (Kow method)

Log Koc: 1.727 (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 = 0.650 (BCF = 4.468 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5199 days (HL = 0.302 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.588 (BCF = 3.875)

Log BAF Arnot-Gobas method (upper trophic) = 0.588 (BAF = 3.875)

log Kow used: 1.49 (expkow database)

Volatilization from Water:

Henry LC: 2.43E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 23.45 hours

Half-Life from Model Lake : 334.1 hours (13.92 days)

Removal In Wastewater Treatment:

Total removal: 3.27 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.86 percent

Total to Air: 1.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.29 7.17 1000

Water 29.7 208 1000

Soil 68.9 416 1000

Sediment 0.132 1.87e+003 0

Persistence Time: 263 hr

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