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CAS Num: 000110-74-7

SMILES : O=COCCC

CHEM : Formic acid, propyl ester

MOL FOR: C4 H8 O2

MOL WT : 88.11

------------------------------ 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) = 0.81

Log Kow (Exper. database match) = 0.83

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

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

Boiling Pt (deg C): 80.21 (Adapted Stein & Brown method)

Melting Pt (deg C): -73.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 84 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.12E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -92.9 deg C

BP (exp database): 80.9 deg C

VP (exp database): 8.26E+01 mm Hg (1.10E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 2.459e+004

log Kow used: 0.83 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 2.2e+004 mg/L (22 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 23696 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 4.23E-004 atm-m3/mole (4.29E+001 Pa-m3/mole)

Group Method: 3.88E-004 atm-m3/mole (3.93E+001 Pa-m3/mole)

Exper Database: 4.35E-04 atm-m3/mole (4.41E+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: 3.960E-004 atm-m3/mole (4.013E+001 Pa-m3/mole)

VP: 84 mm Hg (source: MPBPVP)

WS: 2.46E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.83 (exp database)

Log Kaw used: -1.750 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.580

Log Koa (experimental database): 2.660

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8798

Biowin2 (Non-Linear Model) : 0.9971

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1447 (weeks )

Biowin4 (Primary Survey Model) : 3.9496 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8930

Biowin6 (MITI Non-Linear Model): 0.9647

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9803

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): 1.1E+004 Pa (82.6 mm Hg)

Log Koa (Exp database): 2.660

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

Mackay model : 2.72E-010

Octanol/air (Koa) model: 1.12E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.84E-009

Mackay model : 2.18E-008

Octanol/air (Koa) model: 8.98E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 3.1542 E-12 cm3/molecule-sec

Half-Life = 3.391 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 40.692 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.58E-008 (Junge-Pankow, Mackay avg)

8.98E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 6.638 L/kg (MCI method)

Log Koc: 0.822 (MCI method)

Koc : 20.83 L/kg (Kow method)

Log Koc: 1.319 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.258E+001 L/mol-sec

Kb Half-Life at pH 8: 15.304 hours

Kb Half-Life at pH 7: 6.376 days

(Total Kb applies only to esters, carbmates, alkyl halides)

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) = -1.9750 days (HL = 0.01059 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.041 (BCF = 1.099)

Log BAF Arnot-Gobas method (upper trophic) = 0.041 (BAF = 1.099)

log Kow used: 0.83 (expkow database)

Volatilization from Water:

Henry LC: 0.000435 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.221 hours

Half-Life from Model Lake : 102.9 hours (4.289 days)

Removal In Wastewater Treatment:

Total removal: 17.89 percent

Total biodegradation: 0.08 percent

Total sludge adsorption: 1.53 percent

Total to Air: 16.28 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 22.8 108 1000

Water 44.2 360 1000

Soil 32.9 720 1000

Sediment 0.0934 3.24e+003 0

Persistence Time: 187 hr

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