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CAS Num: 000123-38-6


CHEM : Propanal


MOL WT : 58.08

------------------------------ 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) = 0.33

Log Kow (Exper. database match) = 0.59

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

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

Boiling Pt (deg C): 59.78 (Adapted Stein & Brown method)

Melting Pt (deg C): -93.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 317 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.22E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -80 deg C

BP (exp database): 48 deg C

VP (exp database): 3.17E+02 mm Hg (4.23E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 4.299e+004

log Kow used: 0.59 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 3.06e+005 mg/L (25 deg C)

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

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.8249e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 9.01E-005 atm-m3/mole (9.13E+000 Pa-m3/mole)

Group Method: 8.48E-005 atm-m3/mole (8.59E+000 Pa-m3/mole)

Exper Database: 7.34E-05 atm-m3/mole (7.44E+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: 5.635E-004 atm-m3/mole (5.710E+001 Pa-m3/mole)

VP: 317 mm Hg (source: MPBPVP)

WS: 4.3E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.59 (exp database)

Log Kaw used: -2.523 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.113

Log Koa (experimental database): 3.020

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0045

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0931 (weeks )

Biowin4 (Primary Survey Model) : 3.9606 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0006

Biowin6 (MITI Non-Linear Model): 0.9827

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9051

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): 4.23E+004 Pa (317 mm Hg)

Log Koa (Exp database): 3.020

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

Mackay model : 7.1E-011

Octanol/air (Koa) model: 2.57E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.56E-009

Mackay model : 5.68E-009

Octanol/air (Koa) model: 2.06E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.9908 E-12 cm3/molecule-sec

Half-Life = 0.486 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.837 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.12E-009 (Junge-Pankow, Mackay avg)

2.06E-008 (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 : 10.52 L/kg (Kow method)

Log Koc: 1.022 (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) = -0.9889 days (HL = 0.1026 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.088 (BCF = 1.225)

Log BAF Arnot-Gobas method (upper trophic) = 0.088 (BAF = 1.225)

log Kow used: 0.59 (expkow database)

Volatilization from Water:

Henry LC: 7.34E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 6.857 hours

Half-Life from Model Lake : 138.7 hours (5.779 days)

Removal In Wastewater Treatment:

Total removal: 5.52 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.71 percent

Total to Air: 3.71 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.36 13.1 1000

Water 48.9 360 1000

Soil 47.6 720 1000

Sediment 0.0916 3.24e+003 0

Persistence Time: 250 hr

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