SMILES : O=CO
CHEM : Formic acid
CAS NUM: 000064-18-6
MOL FOR: C1 H2 O2
MOL WT : 46.03
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = -0.46
Log Kow (Exper. database match) = -0.54
Exper. Ref: Hansch,C et al. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 100.90 (Adapted Stein & Brown method)
Melting Pt (deg C): -24.95 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 35.9 (Mean VP of Antoine & Grain methods)
MP (exp database): 8.3 deg C
BP (exp database): 101 deg C
VP (exp database): 4.26E+01 mm Hg at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 9.552e+005
log Kow used: -0.54 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: RIDDICK,JA ET AL. (1986)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
Wat Sol (Exper. database match) = 1000000.00
Exper. Ref: RIDDICK,JA ET AL. (1986)
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 7.50E-007 atm-m3/mole
Group Method: 5.11E-007 atm-m3/mole
Exper Database: 1.67E-07 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 2.276E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.54 (exp database)
Log Kaw used: -5.166 (exp database)
Log Koa (KOAWIN v1.10 estimate): 4.626
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7983
Biowin2 (Non-Linear Model) : 0.9525
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4621 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1669 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7564
Biowin6 (MITI Non-Linear Model): 0.9115
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0229
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): 5.68E+003 Pa (42.6 mm Hg)
Log Koa (Koawin est ): 4.626
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.28E-010
Octanol/air (Koa) model: 1.04E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.91E-008
Mackay model : 4.23E-008
Octanol/air (Koa) model: 8.3E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.5200 E-12 cm3/molecule-sec
Half-Life = 20.569 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 3.07E-008 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1
Log Koc: 0.000
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: -0.54 (expkow database)
Volatilization from Water:
Henry LC: 1.67E-007 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 3570 hours (148.7 days)
Half-Life from Model Lake : 2.601E+004 hours (1084 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3.95 570 1000
Water 36.3 208 1000
Soil 59.7 416 1000
Sediment 0.063 1.87e+003 0
Persistence Time: 332 hr