This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 013493-97-5
SMILES : O=COCc1ccco1
CHEM : 2-Furanmethanol, formate
MOL FOR: C6 H6 O3
MOL WT : 126.11
------------------------------ 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) = 0.90
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 161.67 (Adapted Stein & Brown method)
Melting Pt (deg C): -10.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.32 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 310 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.612e+004
log Kow used: 0.90 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 1.31e+004 mg/L (25 deg C)
Exper. Ref: BEILSTEIN
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 16141 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.93E-005 atm-m3/mole (1.96E+000 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.388E-005 atm-m3/mole (2.420E+000 Pa-m3/mole)
VP: 2.32 mm Hg (source: MPBPVP)
WS: 1.61E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.90 (KowWin est)
Log Kaw used: -3.103 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.003
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8617
Biowin2 (Non-Linear Model) : 0.9950
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0607 (weeks )
Biowin4 (Primary Survey Model) : 3.8947 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6496
Biowin6 (MITI Non-Linear Model): 0.8273
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7143
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): 281 Pa (2.11 mm Hg)
Log Koa (Koawin est ): 4.003
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.07E-008
Octanol/air (Koa) model: 2.47E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.85E-007
Mackay model : 8.53E-007
Octanol/air (Koa) model: 1.98E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 102.1308 E-12 cm3/molecule-sec
Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.257 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
6.19E-007 (Junge-Pankow, Mackay avg)
1.98E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 41.04 L/kg (MCI method)
Log Koc: 1.613 (MCI method)
Koc : 22.77 L/kg (Kow method)
Log Koc: 1.357 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.802E+002 L/mol-sec
Kb Half-Life at pH 8: 41.233 minutes
Kb Half-Life at pH 7: 6.872 hours
(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) = -2.2378 days (HL = 0.005783 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.019 (BCF = 1.044)
Log BAF Arnot-Gobas method (upper trophic) = 0.019 (BAF = 1.044)
log Kow used: 0.90 (estimated)
Volatilization from Water:
Henry LC: 1.93E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 35.21 hours (1.467 days)
Half-Life from Model Lake : 478.3 hours (19.93 days)
Removal In Wastewater Treatment:
Total removal: 2.92 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 1.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.341 2.51 1000
Water 31.7 360 1000
Soil 67.8 720 1000
Sediment 0.112 3.24e+003 0
Persistence Time: 391 hr