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




 

Click to predict properties on the Chemicalize site

x

Hi!
I'm Larry

Hi there, would you like to get such a paper? How about receiving a customized one?

Check it out