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 Number: 590-19-2
SMILES : C=C=CC
CHEM : 1,2-Butadiene
MOL FOR: C4 H6
MOL WT : 54.09
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 2.06
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 19.71 (Adapted Stein & Brown method)
Melting Pt (deg C): -117.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.24E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.65E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -136.2 deg C
BP (exp database): 10.9 deg C
VP (exp database): 1.26E+03 mm Hg (1.68E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 687.8
log Kow used: 2.06 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2837.9 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.67E-002 atm-m3/mole (9.80E+003 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: 7.864E-002 atm-m3/mole (7.968E+003 Pa-m3/mole)
VP: 1.24E+003 mm Hg (source: MPBPVP)
WS: 688 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.06 (KowWin est)
Log Kaw used: 0.597 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 1.463
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7218
Biowin2 (Non-Linear Model) : 0.9038
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0796 (weeks )
Biowin4 (Primary Survey Model) : 3.7697 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5702
Biowin6 (MITI Non-Linear Model): 0.7444
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5359
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.3730
BioHC Half-Life (days) : 2.3603
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.68E+005 Pa (1.26E+003 mm Hg)
Log Koa (Koawin est ): 1.463
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.79E-011
Octanol/air (Koa) model: 7.13E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.45E-010
Mackay model : 1.43E-009
Octanol/air (Koa) model: 5.7E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 31.1360 E-12 cm3/molecule-sec
Half-Life = 0.344 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.122 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.097500 E-17 cm3/molecule-sec
Half-Life = 11.754 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
1.04E-009 (Junge-Pankow, Mackay avg)
5.7E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 21.73 L/kg (MCI method)
Log Koc: 1.337 (MCI method)
Koc : 61.3 L/kg (Kow method)
Log Koc: 1.787 (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 = 1.027 (BCF = 10.65 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5004 days (HL = 0.3159 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.058 (BCF = 11.43)
Log BAF Arnot-Gobas method (upper trophic) = 1.058 (BAF = 11.43)
log Kow used: 2.06 (estimated)
Volatilization from Water:
Henry LC: 0.0967 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 0.7549 hours (45.30 min)
Half-Life from Model Lake : 69.9 hours (2.913 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 97.40 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.56 percent
Total to Air: 96.82 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 13.5 9.5 1000
Water 84.4 360 1000
Soil 1.86 720 1000
Sediment 0.231 3.24e+003 0
Persistence Time: 72.9 hr