Ethenolate C2H3O structure

C2H3O structure
Molecular Formula C2H3O
Average mass 43.045 Da
Density
Boiling Point 23.5±13.0 °C at 760 mmHg
Flash Point -28.3±12.8 °C
Molar Refractivity
Polarizability
Surface Tension
Molar Volume

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density:
Boiling Point: 23.5±13.0 °C at 760 mmHg
Vapour Pressure: 811.9±0.0 mmHg at 25°C
Enthalpy of Vaporization: 31.5±6.0 kJ/mol
Flash Point: -28.3±12.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.13
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.11
Polar Surface Area: 23 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.25
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 81.63 (Adapted Stein & Brown method)
Melting Pt (deg C): -83.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 51.3 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 8.121e+004
log Kow used: 0.25 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 11213 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Vinyl/Allyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.84E-005 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 3.661E-005 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.25 (KowWin est)
Log Kaw used: -2.935 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.185
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8853
Biowin2 (Non-Linear Model) : 0.9707
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2618 (days-weeks )
Biowin4 (Primary Survey Model) : 3.9136 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7608
Biowin6 (MITI Non-Linear Model): 0.9124
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7483
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): 6.56E+003 Pa (49.2 mm Hg)
Log Koa (Koawin est ): 3.185
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.57E-010 
Octanol/air (Koa) model: 3.76E-010 
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.65E-008 
Mackay model : 3.66E-008 
Octanol/air (Koa) model: 3.01E-008 
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 26.4400 E-12 cm3/molecule-sec
Half-Life = 0.405 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.854 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi): 2.66E-008 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1
Log Koc: 0.000 
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: 0.25 (estimated)
Volatilization from Water:
Henry LC: 2.84E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 14.36 hours
Half-Life from Model Lake : 212.3 hours (8.846 days)
Removal In Wastewater Treatment:
Total removal: 3.37 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.74 percent
Total to Air: 1.54 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.3 9.14 1000 
Water 44 208 1000 
Soil 53.6 416 1000 
Sediment 0.0774 1.87e+003 0 
Persistence Time: 210 hr

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