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CAS Number: 33204-48-7



MOL FOR: C5 H10 O1

MOL WT : 86.13

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 1.23

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

Boiling Pt (deg C): 94.52 (Adapted Stein & Brown method)

Melting Pt (deg C): -79.26 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 10.4 (Modified Grain method)

VP (Pa, 25 deg C) : 1.39E+003 (Modified Grain method)

MP (exp database): 91 deg C

Subcooled liquid VP: 45.2 mm Hg (25 deg C, Mod-Grain method)

: 6.03E+003 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.123e+004

log Kow used: 1.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 38247 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 1.59E-004 atm-m3/mole (1.61E+001 Pa-m3/mole)

Group Method: 2.62E-004 atm-m3/mole (2.66E+001 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: 1.050E-004 atm-m3/mole (1.063E+001 Pa-m3/mole)

VP: 10.4 mm Hg (source: MPBPVP)

WS: 1.12E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.23 (KowWin est)

Log Kaw used: -2.187 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.417

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9912

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0311 (weeks )

Biowin4 (Primary Survey Model) : 3.9201 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8668

Biowin6 (MITI Non-Linear Model): 0.9590

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6596

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): 6.03E+003 Pa (45.2 mm Hg)

Log Koa (Koawin est ): 3.417

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

Mackay model : 4.98E-010

Octanol/air (Koa) model: 6.41E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.8E-008

Mackay model : 3.98E-008

Octanol/air (Koa) model: 5.13E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.8899 E-12 cm3/molecule-sec

Half-Life = 0.398 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.773 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.89E-008 (Junge-Pankow, Mackay avg)

5.13E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.877 L/kg (MCI method)

Log Koc: 0.459 (MCI method)

Koc : 23.78 L/kg (Kow method)

Log Koc: 1.376 (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 = 0.481 (BCF = 3.028 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8091 days (HL = 0.1552 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.386 (BCF = 2.435)

Log BAF Arnot-Gobas method (upper trophic) = 0.386 (BAF = 2.435)

log Kow used: 1.23 (estimated)

Volatilization from Water:

Henry LC: 0.000262 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.021 hours

Half-Life from Model Lake : 110.8 hours (4.616 days)

Removal In Wastewater Treatment:

Total removal: 12.71 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.65 percent

Total to Air: 10.97 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.71 9.55 1000

Water 53.2 360 1000

Soil 42 720 1000

Sediment 0.104 3.24e+003 0

Persistence Time: 171 hr

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