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CAS Number: 74-84-0
SMILES : CC
CHEM : Ethane
MOL FOR: C2 H6
MOL WT : 30.07
------------------------------ 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) = 1.32
Log Kow (Exper. database match) = 1.81
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): -35.99 (Adapted Stein & Brown method)
Melting Pt (deg C): -147.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.02E+004 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.7E+006 (Mean VP of Antoine & Grain methods)
MP (exp database): -182.8 deg C
BP (exp database): -88.6 deg C
VP (exp database): 3.15E+04 mm Hg (4.20E+006 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 938.6
log Kow used: 1.81 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 60.2 mg/L (25 deg C)
Exper. Ref: MCAULIFFE,C (1966)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 383.29 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.50E-001 atm-m3/mole (5.57E+004 Pa-m3/mole)
Group Method: 4.25E-001 atm-m3/mole (4.31E+004 Pa-m3/mole)
Exper Database: 5.00E-01 atm-m3/mole (5.07E+004 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: 3.204E-002 atm-m3/mole (3.246E+003 Pa-m3/mole)
VP: 2.02E+004 mm Hg (source: MPBPVP)
WS: 939 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.81 (exp database)
Log Kaw used: 1.311 (exp database)
Log Koa (KOAWIN v1.10 estimate): 0.499
Log Koa (experimental database): 0.420
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7332
Biowin2 (Non-Linear Model) : 0.9297
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1327 (weeks )
Biowin4 (Primary Survey Model) : 3.8044 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6235
Biowin6 (MITI Non-Linear Model): 0.8451
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6769
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.4064
BioHC Half-Life (days) : 2.5494
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 4.2E+006 Pa (3.15E+004 mm Hg)
Log Koa (Exp database): 0.420
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.14E-013
Octanol/air (Koa) model: 6.46E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.58E-011
Mackay model : 5.71E-011
Octanol/air (Koa) model: 5.17E-011
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.2720 E-12 cm3/molecule-sec
Half-Life = 39.323 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.15E-011 (Junge-Pankow, Mackay avg)
5.17E-011 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 13.22 L/kg (MCI method)
Log Koc: 1.121 (MCI method)
Koc : 37.2 L/kg (Kow method)
Log Koc: 1.570 (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 = 0.861 (BCF = 7.265 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5677 days (HL = 0.2706 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.838 (BCF = 6.887)
Log BAF Arnot-Gobas method (upper trophic) = 0.838 (BAF = 6.887)
log Kow used: 1.81 (expkow database)
Volatilization from Water:
Henry LC: 0.5 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 0.5602 hours (33.61 min)
Half-Life from Model Lake : 52.09 hours (2.17 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.49 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.41 percent
Total to Air: 99.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 55.1 958 1000
Water 44.3 360 1000
Soil 0.556 720 1000
Sediment 0.106 3.24e+003 0
Persistence Time: 139 hr