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CAS Number: 535-75-1


CHEM : 2-Piperidinecarboxylic acid

MOL FOR: C6 H11 N1 O2

MOL WT : 129.16

------------------------------ 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) = -1.65

Log Kow (Exper. database match) = -2.31

Exper. Ref: TSAI,RS ET AL. (1991)

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

Boiling Pt (deg C): 426.80 (Adapted Stein & Brown method)

Melting Pt (deg C): 296.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.42E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 5.9E-007 (Modified Grain method)

MP (exp database): 264 deg C

Subcooled liquid VP: 1.84E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000245 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 7.406e+004

log Kow used: -2.31 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 94880 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aliphatic Amines-acid

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

Bond Method : 2.55E-009 atm-m3/mole (2.58E-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: 1.014E-014 atm-m3/mole (1.028E-009 Pa-m3/mole)

VP: 4.42E-009 mm Hg (source: MPBPVP)

WS: 7.41E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: -2.31 (exp database)

Log Kaw used: -6.982 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.672

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9126

Biowin2 (Non-Linear Model) : 0.9492

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3028 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0902 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6337

Biowin6 (MITI Non-Linear Model): 0.6139

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7595

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): 0.000245 Pa (1.84E-006 mm Hg)

Log Koa (Koawin est ): 4.672

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

Mackay model : 0.0122

Octanol/air (Koa) model: 1.15E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.306

Mackay model : 0.495

Octanol/air (Koa) model: 9.23E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 95.0869 E-12 cm3/molecule-sec

Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.350 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.4 (Junge-Pankow, Mackay avg)

9.23E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 6.215 L/kg (MCI method)

Log Koc: 0.793 (MCI method)

Koc : 0.0683 L/kg (Kow method)

Log Koc: -1.166 (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 v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3936 days (HL = 0.0404 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8933)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8933)

log Kow used: -2.31 (expkow database)

Volatilization from Water:

Henry LC: 2.55E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.609E+005 hours (1.087E+004 days)

Half-Life from Model Lake : 2.847E+006 hours (1.186E+005 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0971 2.7 1000

Water 31.6 208 1000

Soil 68.3 416 1000

Sediment 0.0621 1.87e+003 0

Persistence Time: 362 hr

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