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CAS Number: 124-41-4
SMILES : CO([Na])
CHEM : Methanol, sodium salt
MOL FOR: C1 H3 O1 Na1
MOL WT : 54.02
------------------------------ 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) = -3.18
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 366.62 (Adapted Stein & Brown method)
Melting Pt (deg C): 129.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.79E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000638 (Modified Grain method)
Subcooled liquid VP: 5.3E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00707 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -3.18 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 8.6126e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.70E-006 atm-m3/mole (2.74E-001 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: 3.405E-013 atm-m3/mole (3.450E-008 Pa-m3/mole)
VP: 4.79E-006 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -3.18 (KowWin est)
Log Kaw used: -3.957 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 0.777
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8910
Biowin2 (Non-Linear Model) : 0.9752
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2883 (days-weeks )
Biowin4 (Primary Survey Model) : 3.9310 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7784
Biowin6 (MITI Non-Linear Model): 0.9324
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8893
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): 0.00707 Pa (5.3E-005 mm Hg)
Log Koa (Koawin est ): 0.777
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000425
Octanol/air (Koa) model: 1.47E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0151
Mackay model : 0.0328
Octanol/air (Koa) model: 1.18E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.8296 E-12 cm3/molecule-sec
Half-Life = 12.893 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.024 (Junge-Pankow, Mackay avg)
1.18E-010 (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 : 0.05685 L/kg (Kow method)
Log Koc: -1.245 (Kow method)
Experimental Log Koc: 0.44 (database)
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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.6672 days (HL = 0.02152 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.045 (BCF = 0.9014)
Log BAF Arnot-Gobas method (upper trophic) = -0.045 (BAF = 0.9014)
log Kow used: -0.77 (expkow database)
Volatilization from Water:
Henry LC: 2.7E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 160.1 hours (6.672 days)
Half-Life from Model Lake : 1808 hours (75.35 days)
Removal In Wastewater Treatment:
Total removal: 2.00 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.15 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 9.39 309 1000
Water 38.7 208 1000
Soil 51.8 416 1000
Sediment 0.0685 1.87e+003 0
Persistence Time: 271 hr