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CAS Num: 000050-21-5


CHEM : Propanoic acid, 2-hydroxy-


MOL WT : 90.08

------------------------------ 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) = -0.65

Log Kow (Exper. database match) = -0.72

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

Log Kow (Exper. database match) = -0.72

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

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

Boiling Pt (deg C): 204.20 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0286 (Modified Grain method)

VP (Pa, 25 deg C) : 3.81 (Modified Grain method)

MP (exp database): 52.8 deg C

BP (exp database): 122 @ 14.5 mm Hg deg C

VP (exp database): 8.14E-02 mm Hg (1.09E+001 Pa) at 25 deg C

Subcooled liquid VP: 0.153 mm Hg (25 deg C, exp database VP )

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

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

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -0.72 (expkow database)

no-melting pt equation used

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

Exper. Ref: MERCK INDEX (2001)

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


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 1.13E-007 atm-m3/mole (1.15E-002 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 8.13E-08 atm-m3/mole (8.24E-003 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: 3.390E-009 atm-m3/mole (3.435E-004 Pa-m3/mole)

VP: 0.0286 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.72 (exp database)

Log Kaw used: -5.478 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.758

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9361

Biowin2 (Non-Linear Model) : 0.9704

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.5247 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2328 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7362

Biowin6 (MITI Non-Linear Model): 0.8791

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9102

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): 20.4 Pa (0.153 mm Hg)

Log Koa (Koawin est ): 4.758

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

Mackay model : 1.47E-007

Octanol/air (Koa) model: 1.41E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.31E-006

Mackay model : 1.18E-005

Octanol/air (Koa) model: 1.12E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 5.9198 E-12 cm3/molecule-sec

Half-Life = 1.807 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 21.682 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.54E-006 (Junge-Pankow, Mackay avg)

1.12E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1 L/kg (MCI method)

Log Koc: 0.000 (MCI method)

Koc : 0.2218 L/kg (Kow method)

Log Koc: -0.654 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6167 days (HL = 0.02417 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.044 (BCF = 0.903)

Log BAF Arnot-Gobas method (upper trophic) = -0.044 (BAF = 0.903)

log Kow used: -0.72 (expkow database)

Volatilization from Water:

Henry LC: 8.13E-008 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 6836 hours (284.8 days)

Half-Life from Model Lake : 7.465E+004 hours (3111 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 1.87 43.4 1000

Water 36.3 208 1000

Soil 61.8 416 1000

Sediment 0.0641 1.87e+003 0

Persistence Time: 324 hr

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