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: 32736-90-6
SMILES : C=Cc1nc(cnc1)CC
CHEM : 2-ETHYL-6-VINYLPYRAZINE
MOL FOR: C8 H10 N2
MOL WT : 134.18
------------------------------ 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) = 1.88
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 207.95 (Adapted Stein & Brown method)
Melting Pt (deg C): 34.18 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.184 (Modified Grain method)
VP (Pa, 25 deg C) : 24.6 (Modified Grain method)
Subcooled liquid VP: 0.223 mm Hg (25 deg C, Mod-Grain method)
: 29.7 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2192
log Kow used: 1.88 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7063.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.19E-006 atm-m3/mole (2.22E-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: 1.482E-005 atm-m3/mole (1.502E+000 Pa-m3/mole)
VP: 0.184 mm Hg (source: MPBPVP)
WS: 2.19E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.88 (KowWin est)
Log Kaw used: -4.048 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.928
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7383
Biowin2 (Non-Linear Model) : 0.8430
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8278 (weeks )
Biowin4 (Primary Survey Model) : 3.5856 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2927
Biowin6 (MITI Non-Linear Model): 0.2446
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2233
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 29.7 Pa (0.223 mm Hg)
Log Koa (Koawin est ): 5.928
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.01E-007
Octanol/air (Koa) model: 2.08E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.64E-006
Mackay model : 8.07E-006
Octanol/air (Koa) model: 1.66E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 27.9386 E-12 cm3/molecule-sec
Half-Life = 0.383 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.594 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec
Half-Life = 0.546 Days (at 7E11 mol/cm3)
Half-Life = 13.097 Hrs
Fraction sorbed to airborne particulates (phi):
5.86E-006 (Junge-Pankow, Mackay avg)
1.66E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 345.8 L/kg (MCI method)
Log Koc: 2.539 (MCI method)
Koc : 230.9 L/kg (Kow method)
Log Koc: 2.363 (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 = 0.908 (BCF = 8.088 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3872 days (HL = 0.41 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.915 (BCF = 8.23)
Log BAF Arnot-Gobas method (upper trophic) = 0.915 (BAF = 8.23)
log Kow used: 1.88 (estimated)
Volatilization from Water:
Henry LC: 2.19E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 310.9 hours (12.95 days)
Half-Life from Model Lake : 3488 hours (145.3 days)
Removal In Wastewater Treatment:
Total removal: 2.27 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.05 percent
Total to Air: 0.12 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.528 5.4 1000
Water 25.5 360 1000
Soil 73.6 720 1000
Sediment 0.372 3.24e+003 0
Persistence Time: 458 hr